9-methylcyclopentadecene

C16H30 — CID 154291341

IUPAC9-methylcyclopentadecene
SMILESCC1CCCCCCC=CCCCCCC1
InChIInChI=1S/C16H30/c1-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-16/h2-3,16H,4-15H2,1H3
InChIKeyVSUQJVNGAZCJPK-UHFFFAOYSA-N
MW222.42 g/mol
LogP5.87
Rot. Bonds

About 9-methylcyclopentadecene

9-methylcyclopentadecene (PubChem CID 154291341) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 9-methylcyclopentadecene.

Molecular Properties

Compound Name9-methylcyclopentadecene
PubChem CID154291341
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name9-methylcyclopentadecene
SMILESCC1CCCCCCC=CCCCCCC1
InChIInChI=1S/C16H30/c1-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-16/h2-3,16H,4-15H2,1H3
InChIKeyVSUQJVNGAZCJPK-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Beta-Bisabolene
CID 10104370
Cyclohexene, 4-methyl-1-(1-methylethyl)-
CID 10369
alpha-Camphorene
CID 101750
1-Methyl-4-(6-Methylhepta-1,5-Dien-2-Yl)Cyclohexene
CID 403919
beta-Terpinene
CID 66841
(-)-Cembrene A
CID 5281384
trans-Isolimonene
CID 22831540
Cyclohexene, 1-methyl-3-(1-methylethenyl)-
CID 10354
(3R-trans)-3-Methyl-6-(1-methylvinyl)cyclohexene
CID 78790
(14E,18E)-lycopadiene
CID 13889926
m-Camphorene
CID 5315649
(R)-beta-bisabolene
CID 68128

Frequently Asked Questions

What is the IUPAC name of 9-methylcyclopentadecene?
The IUPAC name of 9-methylcyclopentadecene (CID 154291341) is 9-methylcyclopentadecene.
What is the SMILES notation for 9-methylcyclopentadecene?
The canonical SMILES for 9-methylcyclopentadecene is CC1CCCCCCC=CCCCCCC1.
What is the InChIKey of 9-methylcyclopentadecene?
The InChIKey is VSUQJVNGAZCJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-16/h2-3,16H,4-15H2,1H3.
What are the key properties of 9-methylcyclopentadecene?
9-methylcyclopentadecene has a molecular weight of 222.42 g/mol, XLogP of 5.87, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylcyclopentadecene is sourced from PubChem (CID 154291341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).