(7Z)-7-(cyclohexylmethylidene)-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one

C15H20O2 — CID 101096713

IUPAC(7Z)-7-(cyclohexylmethylidene)-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one
SMILESO=C1C=C2CCCOC2/C1=C/C1CCCCC1
InChIInChI=1S/C15H20O2/c16-14-10-12-7-4-8-17-15(12)13(14)9-11-5-2-1-3-6-11/h9-11,15H,1-8H2/b13-9+
InChIKeyHJDPBWJKWDWLKQ-UKTHLTGXSA-N
MW232.32 g/mol
LogP3.18
Rot. Bonds1

About (7Z)-7-(cyclohexylmethylidene)-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one

(7Z)-7-(cyclohexylmethylidene)-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one (PubChem CID 101096713) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (7Z)-7-(cyclohexylmethylidene)-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one.

Molecular Properties

Compound Name(7Z)-7-(cyclohexylmethylidene)-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one
PubChem CID101096713
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(7Z)-7-(cyclohexylmethylidene)-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one
SMILESO=C1C=C2CCCOC2/C1=C/C1CCCCC1
InChIInChI=1S/C15H20O2/c16-14-10-12-7-4-8-17-15(12)13(14)9-11-5-2-1-3-6-11/h9-11,15H,1-8H2/b13-9+
InChIKeyHJDPBWJKWDWLKQ-UKTHLTGXSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 44240897
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CID 118018398
3-acetyl-2-cyclohexyl-2H-furan-5-one
CID 15209254
(3E,3aR,7S)-3-ethylidene-7-methoxy-4,5,6,7-tetrahydro-3aH-inden-2-one
CID 11389920
Tetrahydropyranylbenzoquinone
CID 15462988
Octahydronaphthopyranone
CID 129668862
Octahydroxanthone
CID 129781630
(4aS,11aR)-2,3,4a,5,8,9,10,11-octahydrobenzo[i][1,4]benzodioxin-6-one
CID 134966055
Trichobisabolin M
CID 170989130
Trichobisabolin N
CID 170989132
4-Methoxy-2,5-dipropylcyclopent-2-en-1-one
CID 85677436

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-(cyclohexylmethylidene)-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one?
The IUPAC name of (7Z)-7-(cyclohexylmethylidene)-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one (CID 101096713) is (7Z)-7-(cyclohexylmethylidene)-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one.
What is the SMILES notation for (7Z)-7-(cyclohexylmethylidene)-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one?
The canonical SMILES for (7Z)-7-(cyclohexylmethylidene)-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one is O=C1C=C2CCCOC2/C1=C/C1CCCCC1.
What is the InChIKey of (7Z)-7-(cyclohexylmethylidene)-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one?
The InChIKey is HJDPBWJKWDWLKQ-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H20O2/c16-14-10-12-7-4-8-17-15(12)13(14)9-11-5-2-1-3-6-11/h9-11,15H,1-8H2/b13-9+.
What are the key properties of (7Z)-7-(cyclohexylmethylidene)-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one?
(7Z)-7-(cyclohexylmethylidene)-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one has a molecular weight of 232.32 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-(cyclohexylmethylidene)-2,3,4,7a-tetrahydrocyclopenta[b]pyran-6-one is sourced from PubChem (CID 101096713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).