butane;3,8-dimethylideneundecane;pentane;propane

C25H54 — CID 143697639

IUPACbutane;3,8-dimethylideneundecane;pentane;propane
SMILESC=C(CC)CCCCC(=C)CCC.CCC.CCCC.CCCCC
InChIInChI=1S/C13H24.C5H12.C4H10.C3H8/c1-5-9-13(4)11-8-7-10-12(3)6-2;1-3-5-4-2;1-3-4-2;1-3-2/h3-11H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyVUBWYTQHJBNRNN-UHFFFAOYSA-N
MW354.71 g/mol
LogP10.29
Rot. Bonds11

About butane;3,8-dimethylideneundecane;pentane;propane

butane;3,8-dimethylideneundecane;pentane;propane (PubChem CID 143697639) has the molecular formula C25H54 and a molecular weight of 354.71 g/mol. Its IUPAC name is butane;3,8-dimethylideneundecane;pentane;propane.

Molecular Properties

Compound Namebutane;3,8-dimethylideneundecane;pentane;propane
PubChem CID143697639
Molecular FormulaC25H54
Molecular Weight354.71 g/mol
Exact Mass354.42
IUPAC Namebutane;3,8-dimethylideneundecane;pentane;propane
SMILESC=C(CC)CCCCC(=C)CCC.CCC.CCCC.CCCCC
InChIInChI=1S/C13H24.C5H12.C4H10.C3H8/c1-5-9-13(4)11-8-7-10-12(3)6-2;1-3-5-4-2;1-3-4-2;1-3-2/h3-11H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyVUBWYTQHJBNRNN-UHFFFAOYSA-N
XLogP10.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.71
LogP ≤ 510.29
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'}

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Related Compounds

3,8-dimethylidenetetradecane
CID 173410299
3-methylidenedecane
CID 21453024
4-methylidenetricosane
CID 139983205
4-methylidenenonadecane
CID 139983203
3,8,15,20-tetramethylidenedocosane
CID 176610318
6-methylidenedodecane
CID 21453027
6-methylidenetetradecane
CID 21477883
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
19-methylideneheptatriacontane;titanium
CID 174477367
3,8-dimethylidenetetradecane;bis(oct-1-ene)
CID 173443691
4,7-dimethylidenedecane
CID 543440
2-methylidenepentadecan-1-ol
CID 10847661

Frequently Asked Questions

What is the IUPAC name of butane;3,8-dimethylideneundecane;pentane;propane?
The IUPAC name of butane;3,8-dimethylideneundecane;pentane;propane (CID 143697639) is butane;3,8-dimethylideneundecane;pentane;propane.
What is the SMILES notation for butane;3,8-dimethylideneundecane;pentane;propane?
The canonical SMILES for butane;3,8-dimethylideneundecane;pentane;propane is C=C(CC)CCCCC(=C)CCC.CCC.CCCC.CCCCC.
What is the InChIKey of butane;3,8-dimethylideneundecane;pentane;propane?
The InChIKey is VUBWYTQHJBNRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24.C5H12.C4H10.C3H8/c1-5-9-13(4)11-8-7-10-12(3)6-2;1-3-5-4-2;1-3-4-2;1-3-2/h3-11H2,1-2H3;3-5H2,1-2H3;3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of butane;3,8-dimethylideneundecane;pentane;propane?
butane;3,8-dimethylideneundecane;pentane;propane has a molecular weight of 354.71 g/mol, XLogP of 10.29, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3,8-dimethylideneundecane;pentane;propane is sourced from PubChem (CID 143697639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).