8-methylheptadec-5-yne

C18H34 — CID 22224327

IUPAC8-methylheptadec-5-yne
SMILESCCCCC#CCC(C)CCCCCCCCC
InChIInChI=1S/C18H34/c1-4-6-8-10-11-13-15-17-18(3)16-14-12-9-7-5-2/h18H,4-11,13,15-17H2,1-3H3
InChIKeyQTLPCIIFZKUQOZ-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.35
Rot. Bonds11

About 8-methylheptadec-5-yne

8-methylheptadec-5-yne (PubChem CID 22224327) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 8-methylheptadec-5-yne.

Molecular Properties

Compound Name8-methylheptadec-5-yne
PubChem CID22224327
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name8-methylheptadec-5-yne
SMILESCCCCC#CCC(C)CCCCCCCCC
InChIInChI=1S/C18H34/c1-4-6-8-10-11-13-15-17-18(3)16-14-12-9-7-5-2/h18H,4-11,13,15-17H2,1-3H3
InChIKeyQTLPCIIFZKUQOZ-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8-methylheptadec-5-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methyltridec-5-yne
CID 173074728
9-methylhexadec-5-yne
CID 22223866
18,21-dimethyloctacos-12-yne
CID 22224150
4,11-dimethyltetradec-6-yne
CID 134995149
5-methyldec-2-yne
CID 123137081
10-methylheptadec-3-yne
CID 22224077
12-methylpentadec-6-yne
CID 142980159
9-methyltridec-5-yne
CID 22224124
11-propylicos-5-yne
CID 22224119
(7R)-7-methyltricosane
CID 162971691
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594

Frequently Asked Questions

What is the IUPAC name of 8-methylheptadec-5-yne?
The IUPAC name of 8-methylheptadec-5-yne (CID 22224327) is 8-methylheptadec-5-yne.
What is the SMILES notation for 8-methylheptadec-5-yne?
The canonical SMILES for 8-methylheptadec-5-yne is CCCCC#CCC(C)CCCCCCCCC.
What is the InChIKey of 8-methylheptadec-5-yne?
The InChIKey is QTLPCIIFZKUQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-4-6-8-10-11-13-15-17-18(3)16-14-12-9-7-5-2/h18H,4-11,13,15-17H2,1-3H3.
What are the key properties of 8-methylheptadec-5-yne?
8-methylheptadec-5-yne has a molecular weight of 250.47 g/mol, XLogP of 6.35, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylheptadec-5-yne is sourced from PubChem (CID 22224327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).