7-methylheptadecane

C18H38 — CID 30398

IUPAC7-methylheptadecane
SMILESCCCCCCCCCCC(C)CCCCCC
InChIInChI=1S/C18H38/c1-4-6-8-10-11-12-13-15-17-18(3)16-14-9-7-5-2/h18H,4-17H2,1-3H3
InChIKeyAZGIFKCGYRMPKP-UHFFFAOYSA-N
MW254.50 g/mol
LogP7.12
Rot. Bonds14

About 7-methylheptadecane

7-methylheptadecane (PubChem CID 30398) has the molecular formula C18H38 and a molecular weight of 254.50 g/mol. Its IUPAC name is 7-methylheptadecane.

Molecular Properties

Compound Name7-methylheptadecane
PubChem CID30398
Molecular FormulaC18H38
Molecular Weight254.50 g/mol
Exact Mass254.30
IUPAC Name7-methylheptadecane
SMILESCCCCCCCCCCC(C)CCCCCC
InChIInChI=1S/C18H38/c1-4-6-8-10-11-12-13-15-17-18(3)16-14-9-7-5-2/h18H,4-17H2,1-3H3
InChIKeyAZGIFKCGYRMPKP-UHFFFAOYSA-N
XLogP7.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.50
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Pristane
CID 15979
2-Methyldecane
CID 23415
Squalane
CID 8089
Phytane
CID 12523
2-Methyloctane
CID 18591
2-Methylundecane
CID 23459
Farnesane
CID 19773
4-Methyldecane
CID 17835
3-Methyldecane
CID 92239
2-Methylnonane
CID 13379
3,6-Dimethyloctane
CID 85927
2,6-Dimethyloctane
CID 16319

Frequently Asked Questions

What is the IUPAC name of 7-methylheptadecane?
The IUPAC name of 7-methylheptadecane (CID 30398) is 7-methylheptadecane.
What is the SMILES notation for 7-methylheptadecane?
The canonical SMILES for 7-methylheptadecane is CCCCCCCCCCC(C)CCCCCC.
What is the InChIKey of 7-methylheptadecane?
The InChIKey is AZGIFKCGYRMPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38/c1-4-6-8-10-11-12-13-15-17-18(3)16-14-9-7-5-2/h18H,4-17H2,1-3H3.
What are the key properties of 7-methylheptadecane?
7-methylheptadecane has a molecular weight of 254.50 g/mol, XLogP of 7.12, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylheptadecane is sourced from PubChem (CID 30398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).