3-methyl-6-methylidenetricosane;2-methylpropane

C29H60 — CID 154734731

IUPAC3-methyl-6-methylidenetricosane;2-methylpropane
SMILESC=C(CCCCCCCCCCCCCCCCC)CCC(C)CC.CC(C)C
InChIInChI=1S/C25H50.C4H10/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(4)23-22-24(3)6-2;1-4(2)3/h24H,4-23H2,1-3H3;4H,1-3H3
InChIKeyDGWZNSALAGPQGA-UHFFFAOYSA-N
MW408.80 g/mol
LogP11.29
Rot. Bonds20

About 3-methyl-6-methylidenetricosane;2-methylpropane

3-methyl-6-methylidenetricosane;2-methylpropane (PubChem CID 154734731) has the molecular formula C29H60 and a molecular weight of 408.80 g/mol. Its IUPAC name is 3-methyl-6-methylidenetricosane;2-methylpropane.

Molecular Properties

Compound Name3-methyl-6-methylidenetricosane;2-methylpropane
PubChem CID154734731
Molecular FormulaC29H60
Molecular Weight408.80 g/mol
Exact Mass408.47
IUPAC Name3-methyl-6-methylidenetricosane;2-methylpropane
SMILESC=C(CCCCCCCCCCCCCCCCC)CCC(C)CC.CC(C)C
InChIInChI=1S/C25H50.C4H10/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(4)23-22-24(3)6-2;1-4(2)3/h24H,4-23H2,1-3H3;4H,1-3H3
InChIKeyDGWZNSALAGPQGA-UHFFFAOYSA-N
XLogP11.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.80
LogP ≤ 511.29
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

alpha-Camphorene
CID 101750
2,4-Dimethyl-1-heptene
CID 123385
Neophytadiene
CID 10446
(14E,18E)-lycopadiene
CID 13889926
m-Camphorene
CID 5315649
1-Decene, dimer
CID 22833390
1-Heptene, 2,6-dimethyl-
CID 76492
(+-)-N,N-Dimethyl menthyl succinamide
CID 544714
1-Methyl-4-(1-methylethenyl)cyclohexane
CID 14299
3-Ethyl-2-methyl-1-heptene
CID 140588
p-Menth-1(7)-ene
CID 517973
1,8-Nonadiene, 2,7-dimethyl-5-(1-methylethenyl)-
CID 572166

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-methylidenetricosane;2-methylpropane?
The IUPAC name of 3-methyl-6-methylidenetricosane;2-methylpropane (CID 154734731) is 3-methyl-6-methylidenetricosane;2-methylpropane.
What is the SMILES notation for 3-methyl-6-methylidenetricosane;2-methylpropane?
The canonical SMILES for 3-methyl-6-methylidenetricosane;2-methylpropane is C=C(CCCCCCCCCCCCCCCCC)CCC(C)CC.CC(C)C.
What is the InChIKey of 3-methyl-6-methylidenetricosane;2-methylpropane?
The InChIKey is DGWZNSALAGPQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50.C4H10/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(4)23-22-24(3)6-2;1-4(2)3/h24H,4-23H2,1-3H3;4H,1-3H3.
What are the key properties of 3-methyl-6-methylidenetricosane;2-methylpropane?
3-methyl-6-methylidenetricosane;2-methylpropane has a molecular weight of 408.80 g/mol, XLogP of 11.29, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-methylidenetricosane;2-methylpropane is sourced from PubChem (CID 154734731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).