9-methyldec-1-en-5-yne

C11H18 — CID 123574839

IUPAC9-methyldec-1-en-5-yne
SMILESC=CCCC#CCCC(C)C
InChIInChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h4,11H,1,5-6,9-10H2,2-3H3
InChIKeyMWVSZANSSLFJCP-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.39
Rot. Bonds4

About 9-methyldec-1-en-5-yne

9-methyldec-1-en-5-yne (PubChem CID 123574839) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 9-methyldec-1-en-5-yne.

Molecular Properties

Compound Name9-methyldec-1-en-5-yne
PubChem CID123574839
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name9-methyldec-1-en-5-yne
SMILESC=CCCC#CCCC(C)C
InChIInChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h4,11H,1,5-6,9-10H2,2-3H3
InChIKeyMWVSZANSSLFJCP-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.39
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 9-methyldec-1-en-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

7-methyloct-1-en-5-yne
CID 174059005
bis(buta-1,3-diene);5-methylhex-1-ene
CID 174724270
26-methylheptacos-1-ene
CID 154926473
25-methylhexacos-1-ene
CID 141407501
1-iodo-5-methylhex-1-yne
CID 14941760
(7E)-nona-1,7-dien-5-yne
CID 15529252
7-[hept-6-en-2-ynoxy(methyl)phosphoryl]oxyhept-1-en-5-yne
CID 118644182
6-bromohept-1-ene
CID 12722403
2,12-dimethyltrideca-5,8-diyn-7-ol
CID 140765594
(5S)-9-tri(propan-2-yl)silylnon-1-en-8-yn-5-ol
CID 101463801
5,6,8-trimethylnon-1-ene
CID 123478459
non-1-en-6-yne
CID 56979748

Frequently Asked Questions

What is the IUPAC name of 9-methyldec-1-en-5-yne?
The IUPAC name of 9-methyldec-1-en-5-yne (CID 123574839) is 9-methyldec-1-en-5-yne.
What is the SMILES notation for 9-methyldec-1-en-5-yne?
The canonical SMILES for 9-methyldec-1-en-5-yne is C=CCCC#CCCC(C)C.
What is the InChIKey of 9-methyldec-1-en-5-yne?
The InChIKey is MWVSZANSSLFJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-4-5-6-7-8-9-10-11(2)3/h4,11H,1,5-6,9-10H2,2-3H3.
What are the key properties of 9-methyldec-1-en-5-yne?
9-methyldec-1-en-5-yne has a molecular weight of 150.26 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyldec-1-en-5-yne is sourced from PubChem (CID 123574839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).