9-methyldec-9-en-1,7-diyn-3-one

C11H12O — CID 14925094

IUPAC9-methyldec-9-en-1,7-diyn-3-one
SMILESC#CC(=O)CCCC#CC(=C)C
InChIInChI=1S/C11H12O/c1-4-11(12)9-7-5-6-8-10(2)3/h1H,2,5,7,9H2,3H3
InChIKeyCZMZBCZAWIYLMU-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.94
Rot. Bonds3

About 9-methyldec-9-en-1,7-diyn-3-one

9-methyldec-9-en-1,7-diyn-3-one (PubChem CID 14925094) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 9-methyldec-9-en-1,7-diyn-3-one.

Molecular Properties

Compound Name9-methyldec-9-en-1,7-diyn-3-one
PubChem CID14925094
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name9-methyldec-9-en-1,7-diyn-3-one
SMILESC#CC(=O)CCCC#CC(=C)C
InChIInChI=1S/C11H12O/c1-4-11(12)9-7-5-6-8-10(2)3/h1H,2,5,7,9H2,3H3
InChIKeyCZMZBCZAWIYLMU-UHFFFAOYSA-N
XLogP1.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfonyl)-9-methyldec-9-en-1,7-diyn-3-one
CID 10870311
undec-6-yn-5-one
CID 11240698
12-hydroxydodec-1-yn-3-one
CID 100952274
trideca-6,12-diyn-2-one
CID 14736662
non-8-en-1-yn-3-one
CID 86129011
tetradec-7-yn-6-one
CID 12537067
pentadec-8-yn-7-one
CID 10846701
non-4-yn-3-one
CID 10887980
methyl 7-oxooct-2-ynoate
CID 10352074
2-methylhept-1-en-6-yne
CID 10396805
ethyl 6-oxododec-7-ynoate
CID 12023271
2,2-dimethylnon-4-yn-3-one
CID 10773384

Frequently Asked Questions

What is the IUPAC name of 9-methyldec-9-en-1,7-diyn-3-one?
The IUPAC name of 9-methyldec-9-en-1,7-diyn-3-one (CID 14925094) is 9-methyldec-9-en-1,7-diyn-3-one.
What is the SMILES notation for 9-methyldec-9-en-1,7-diyn-3-one?
The canonical SMILES for 9-methyldec-9-en-1,7-diyn-3-one is C#CC(=O)CCCC#CC(=C)C.
What is the InChIKey of 9-methyldec-9-en-1,7-diyn-3-one?
The InChIKey is CZMZBCZAWIYLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-4-11(12)9-7-5-6-8-10(2)3/h1H,2,5,7,9H2,3H3.
What are the key properties of 9-methyldec-9-en-1,7-diyn-3-one?
9-methyldec-9-en-1,7-diyn-3-one has a molecular weight of 160.22 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyldec-9-en-1,7-diyn-3-one is sourced from PubChem (CID 14925094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).