10-methylheptadec-3-yne

C18H34 — CID 22224077

IUPAC10-methylheptadec-3-yne
SMILESCCC#CCCCCCC(C)CCCCCCC
InChIInChI=1S/C18H34/c1-4-6-8-10-11-13-15-17-18(3)16-14-12-9-7-5-2/h18H,4-5,7,9-17H2,1-3H3
InChIKeyXOYUDFLNYJDJIC-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.35
Rot. Bonds11

About 10-methylheptadec-3-yne

10-methylheptadec-3-yne (PubChem CID 22224077) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 10-methylheptadec-3-yne.

Molecular Properties

Compound Name10-methylheptadec-3-yne
PubChem CID22224077
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name10-methylheptadec-3-yne
SMILESCCC#CCCCCCC(C)CCCCCCC
InChIInChI=1S/C18H34/c1-4-6-8-10-11-13-15-17-18(3)16-14-12-9-7-5-2/h18H,4-5,7,9-17H2,1-3H3
InChIKeyXOYUDFLNYJDJIC-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'}

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Related Compounds

18,21-dimethyloctacos-12-yne
CID 22224150
12-methylpentadec-6-yne
CID 142980159
9-methylhexadec-5-yne
CID 22223866
hexadeca-3,9-diyne
CID 54568863
hexacos-3-yne
CID 22223851
8-methylheptadec-5-yne
CID 22224327
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
11-methylhentriacontane
CID 520767

Frequently Asked Questions

What is the IUPAC name of 10-methylheptadec-3-yne?
The IUPAC name of 10-methylheptadec-3-yne (CID 22224077) is 10-methylheptadec-3-yne.
What is the SMILES notation for 10-methylheptadec-3-yne?
The canonical SMILES for 10-methylheptadec-3-yne is CCC#CCCCCCC(C)CCCCCCC.
What is the InChIKey of 10-methylheptadec-3-yne?
The InChIKey is XOYUDFLNYJDJIC-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,4-5,7,9-17H2,1-3H3.
What are the key properties of 10-methylheptadec-3-yne?
10-methylheptadec-3-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 10-methylheptadec-3-yne is sourced from PubChem (CID 22224077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).