(3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one

C15H24O — CID 58612496

IUPAC(3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one
SMILESC/C1=C\CCCCCC/C=C(\C)CC(=O)C1
InChIInChI=1S/C15H24O/c1-13-9-7-5-3-4-6-8-10-14(2)12-15(16)11-13/h9-10H,3-8,11-12H2,1-2H3/b13-9+,14-10+
InChIKeyKVBHEZXPQPFGPN-UTLPMFLDSA-N
MW220.36 g/mol
LogP4.58
Rot. Bonds

About (3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one

(3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one (PubChem CID 58612496) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one.

Molecular Properties

Compound Name(3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one
PubChem CID58612496
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one
SMILESC/C1=C\CCCCCC/C=C(\C)CC(=O)C1
InChIInChI=1S/C15H24O/c1-13-9-7-5-3-4-6-8-10-14(2)12-15(16)11-13/h9-10H,3-8,11-12H2,1-2H3/b13-9+,14-10+
InChIKeyKVBHEZXPQPFGPN-UTLPMFLDSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(3Z)-3,12-dimethylbicyclo[7.2.1]dodeca-1(11),3,9-triene
CID 163531079
1-methylcyclohexene;hydrofluoride
CID 157219805
acetylene;1-methylcyclohexene
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CID 78098447
4-methyl-2-methylidenecyclohept-4-en-1-one
CID 100986645
(2E,6Z)-2,6-dimethylcyclodeca-2,6-dien-1-one
CID 131886364
methyl 8-oxocyclononene-1-carboxylate
CID 131879237
(3E)-3-(bromomethyl)cyclodec-3-en-1-one
CID 10800373
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Frequently Asked Questions

What is the IUPAC name of (3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one?
The IUPAC name of (3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one (CID 58612496) is (3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one.
What is the SMILES notation for (3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one?
The canonical SMILES for (3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one is C/C1=C\CCCCCC/C=C(\C)CC(=O)C1.
What is the InChIKey of (3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one?
The InChIKey is KVBHEZXPQPFGPN-UTLPMFLDSA-N. The full InChI is InChI=1S/C15H24O/c1-13-9-7-5-3-4-6-8-10-14(2)12-15(16)11-13/h9-10H,3-8,11-12H2,1-2H3/b13-9+,14-10+.
What are the key properties of (3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one?
(3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one has a molecular weight of 220.36 g/mol, XLogP of 4.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,11E)-3,12-dimethylcyclotrideca-3,11-dien-1-one is sourced from PubChem (CID 58612496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).