9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene

C180H360 — CID 173451985

IUPAC9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene
SMILESC=C(C)CCCCCCCCCCC.C=C(C)CCCCCCCCCCCCC.C=C(CC)CCCCCCCCCC.C=C(CC)CCCCCCCCCCCC.C=C(CCCC)CCCCCC.C=C(CCCC)CCCCCCCC.C=C(CCCCCC)CCCCCC.C=C(CCCCCC)CCCCCCCC.C=C(CCCCCCCC)CCCCCCCCCC.C=C(CCCCCCCC)CCCCCCCCCCCC.C=C(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/2C22H44.C20H40.3C16H32.4C14H28.C12H24/c1-4-6-8-10-12-13-14-15-17-19-21-22(3)20-18-16-11-9-7-5-2;1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2;1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3;1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2;1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2;1-4-5-6-7-8-9-10-11-12-13-14(2)3;1-4-6-7-8-9-10-11-12-13-14(3)5-2;1-4-6-8-9-10-11-13-14(3)12-7-5-2;1-4-6-8-10-12-14(3)13-11-9-7-5-2;1-4-6-8-9-11-12(3)10-7-5-2/h2*3-21H2,1-2H3;3-19H2,1-2H3;2,4-15H2,1,3H3;2*3-15H2,1-2H3;2,4-13H2,1,3H3;3*3-13H2,1-2H3;3-11H2,1-2H3
InChIKeyDEPLKTCSYBTZPR-UHFFFAOYSA-N
MW2524.86 g/mol
LogP70.46
Rot. Bonds136

About 9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene

9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene (PubChem CID 173451985) has the molecular formula C180H360 and a molecular weight of 2524.86 g/mol. Its IUPAC name is 9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene.

Molecular Properties

Compound Name9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene
PubChem CID173451985
Molecular FormulaC180H360
Molecular Weight2524.86 g/mol
Exact Mass2522.82
IUPAC Name9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene
SMILESC=C(C)CCCCCCCCCCC.C=C(C)CCCCCCCCCCCCC.C=C(CC)CCCCCCCCCC.C=C(CC)CCCCCCCCCCCC.C=C(CCCC)CCCCCC.C=C(CCCC)CCCCCCCC.C=C(CCCCCC)CCCCCC.C=C(CCCCCC)CCCCCCCC.C=C(CCCCCCCC)CCCCCCCCCC.C=C(CCCCCCCC)CCCCCCCCCCCC.C=C(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/2C22H44.C20H40.3C16H32.4C14H28.C12H24/c1-4-6-8-10-12-13-14-15-17-19-21-22(3)20-18-16-11-9-7-5-2;1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2;1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3;1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2;1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2;1-4-5-6-7-8-9-10-11-12-13-14(2)3;1-4-6-7-8-9-10-11-12-13-14(3)5-2;1-4-6-8-9-10-11-13-14(3)12-7-5-2;1-4-6-8-10-12-14(3)13-11-9-7-5-2;1-4-6-8-9-11-12(3)10-7-5-2/h2*3-21H2,1-2H3;3-19H2,1-2H3;2,4-15H2,1,3H3;2*3-15H2,1-2H3;2,4-13H2,1,3H3;3*3-13H2,1-2H3;3-11H2,1-2H3
InChIKeyDEPLKTCSYBTZPR-UHFFFAOYSA-N
XLogP70.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds136
Heavy Atoms180
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002524.86
LogP ≤ 570.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene with MolForge

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Related Compounds

3,8-dimethylidenetetradecane
CID 173410299
3-methylidenedecane
CID 21453024
2-methyltetradec-1-ene
CID 521375
ethane;2-methyloct-1-ene
CID 143077596
3,8,15,20-tetramethylidenedocosane
CID 176610318
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
ethane;2-methyloct-1-ene;propane
CID 177190898
19-methylideneheptatriacontane;titanium
CID 174477367
ethane;2-methylhept-1-ene
CID 143682307
2-methylhex-1-ene
CID 158402499
4-methylidenetricosane
CID 139983205

Frequently Asked Questions

What is the IUPAC name of 9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene?
The IUPAC name of 9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene (CID 173451985) is 9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene.
What is the SMILES notation for 9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene?
The canonical SMILES for 9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene is C=C(C)CCCCCCCCCCC.C=C(C)CCCCCCCCCCCCC.C=C(CC)CCCCCCCCCC.C=C(CC)CCCCCCCCCCCC.C=C(CCCC)CCCCCC.C=C(CCCC)CCCCCCCC.C=C(CCCCCC)CCCCCC.C=C(CCCCCC)CCCCCCCC.C=C(CCCCCCCC)CCCCCCCCCC.C=C(CCCCCCCC)CCCCCCCCCCCC.C=C(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene?
The InChIKey is DEPLKTCSYBTZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H44.C20H40.3C16H32.4C14H28.C12H24/c1-4-6-8-10-12-13-14-15-17-19-21-22(3)20-18-16-11-9-7-5-2;1-4-6-8-10-12-14-16-18-20-22(3)21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-13-15-17-19-20(3)18-16-14-11-9-7-5-2;1-4-5-6-7-8-9-10-11-12-13-14-15-16(2)3;1-4-6-7-8-9-10-11-12-13-14-15-16(3)5-2;1-4-6-8-10-11-13-15-16(3)14-12-9-7-5-2;1-4-5-6-7-8-9-10-11-12-13-14(2)3;1-4-6-7-8-9-10-11-12-13-14(3)5-2;1-4-6-8-9-10-11-13-14(3)12-7-5-2;1-4-6-8-10-12-14(3)13-11-9-7-5-2;1-4-6-8-9-11-12(3)10-7-5-2/h2*3-21H2,1-2H3;3-19H2,1-2H3;2,4-15H2,1,3H3;2*3-15H2,1-2H3;2,4-13H2,1,3H3;3*3-13H2,1-2H3;3-11H2,1-2H3.
What are the key properties of 9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene?
9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene has a molecular weight of 2524.86 g/mol, XLogP of 70.46, 136 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylidenehenicosane;11-methylidenehenicosane;9-methylidenenonadecane;3-methylidenepentadecane;7-methylidenepentadecane;3-methylidenetridecane;5-methylidenetridecane;7-methylidenetridecane;5-methylideneundecane;2-methylpentadec-1-ene;2-methyltridec-1-ene is sourced from PubChem (CID 173451985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).