(2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one

C13H20O — CID 10888785

IUPAC(2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one
SMILESCC(C)C1/C=C\C(=O)CC/C=C\CC1
InChIInChI=1S/C13H20O/c1-11(2)12-7-5-3-4-6-8-13(14)10-9-12/h3-4,9-12H,5-8H2,1-2H3/b4-3-,10-9-
InChIKeyWRUUHPQSZAGBPQ-RTAKVZRXSA-N
MW192.30 g/mol
LogP3.51
Rot. Bonds1

About (2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one

(2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one (PubChem CID 10888785) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one.

Molecular Properties

Compound Name(2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one
PubChem CID10888785
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one
SMILESCC(C)C1/C=C\C(=O)CC/C=C\CC1
InChIInChI=1S/C13H20O/c1-11(2)12-7-5-3-4-6-8-13(14)10-9-12/h3-4,9-12H,5-8H2,1-2H3/b4-3-,10-9-
InChIKeyWRUUHPQSZAGBPQ-RTAKVZRXSA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.51
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

(1E,6E,10S)-3-methylidene-10-propan-2-ylcyclodeca-1,6-diene
CID 163075641
(6S)-3-methylidene-6-propan-2-ylcyclohexene;(6R)-3-methylidene-6-propan-2-ylcyclohexene
CID 76969298
4-(4,4-dimethylpentan-2-yl)cyclohex-2-en-1-one
CID 86190844
cyclopent-2-en-1-ol;cyclopent-2-en-1-one;methane
CID 159205926
(1R,7E,11E)-1,11-dimethyl-4-propan-2-ylcyclotetradeca-2,7,11-trien-1-ol
CID 177482395
(2Z,8E)-cycloundeca-2,8-dien-1-one
CID 171377468
(1E,5Z,10S)-3,7-dimethylidene-10-propan-2-ylcyclodeca-1,5-diene
CID 165345238
4-(5-oxohexan-2-yl)cyclohex-2-en-1-one
CID 123181960
6-propan-2-ylcyclohex-2-en-1-one
CID 12657624
(2E,6S,9E,12Z)-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,9,12-tetraen-1-one
CID 162533992
(1E,6E)-1-methyl-5-methylidene-8-propan-2-ylcyclodeca-1,6-diene
CID 6436582
(5Z)-2-propan-2-yl-3,4-dihydro-2H-oxocin-7-one
CID 45096380

Frequently Asked Questions

What is the IUPAC name of (2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one?
The IUPAC name of (2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one (CID 10888785) is (2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one.
What is the SMILES notation for (2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one?
The canonical SMILES for (2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one is CC(C)C1/C=C\C(=O)CC/C=C\CC1.
What is the InChIKey of (2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one?
The InChIKey is WRUUHPQSZAGBPQ-RTAKVZRXSA-N. The full InChI is InChI=1S/C13H20O/c1-11(2)12-7-5-3-4-6-8-13(14)10-9-12/h3-4,9-12H,5-8H2,1-2H3/b4-3-,10-9-.
What are the key properties of (2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one?
(2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one has a molecular weight of 192.30 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,7Z)-4-propan-2-ylcyclodeca-2,7-dien-1-one is sourced from PubChem (CID 10888785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).