(2Z)-3-hydroxy-2-[(2E,7Z)-nona-2,7-dienylidene]cyclopentan-1-one

C14H20O2 — CID 177403192

IUPAC(2Z)-3-hydroxy-2-[(2E,7Z)-nona-2,7-dienylidene]cyclopentan-1-one
SMILESC/C=C\CCC/C=C/C=C1\C(=O)CCC1O
InChIInChI=1S/C14H20O2/c1-2-3-4-5-6-7-8-9-12-13(15)10-11-14(12)16/h2-3,7-9,13,15H,4-6,10-11H2,1H3/b3-2-,8-7+,12-9-
InChIKeyGNHXUYVRQQQIHR-XJAJUMTESA-N
MW220.31 g/mol
LogP2.94
Rot. Bonds5

About (2Z)-3-hydroxy-2-[(2E,7Z)-nona-2,7-dienylidene]cyclopentan-1-one

(2Z)-3-hydroxy-2-[(2E,7Z)-nona-2,7-dienylidene]cyclopentan-1-one (PubChem CID 177403192) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2Z)-3-hydroxy-2-[(2E,7Z)-nona-2,7-dienylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2Z)-3-hydroxy-2-[(2E,7Z)-nona-2,7-dienylidene]cyclopentan-1-one
PubChem CID177403192
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(2Z)-3-hydroxy-2-[(2E,7Z)-nona-2,7-dienylidene]cyclopentan-1-one
SMILESC/C=C\CCC/C=C/C=C1\C(=O)CCC1O
InChIInChI=1S/C14H20O2/c1-2-3-4-5-6-7-8-9-12-13(15)10-11-14(12)16/h2-3,7-9,13,15H,4-6,10-11H2,1H3/b3-2-,8-7+,12-9-
InChIKeyGNHXUYVRQQQIHR-XJAJUMTESA-N
XLogP2.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,5S)-5-hydroxy-7-[(1R,2E)-2-[(Z)-oct-2-enylidene]-3-oxocyclopentyl]hept-6-enoic acid
CID 131840069
(4S)-3,4-dihydroxy-2-[(Z)-octadec-10-enoyl]cyclohex-2-en-1-one
CID 162894331
(Z)-7-[(1R,2E,5S)-5-hydroxy-2-[(E)-oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid
CID 5283052
2-(1-hydroxyhexadeca-12,14-dienylidene)cyclohexane-1,3-dione
CID 162806820
5-[(E)-oct-6-enyl]oxolan-2-one
CID 53238342
(Z)-hept-5-enal
CID 12625719
2-[(E)-but-2-enyl]-3-methylcyclopent-2-en-1-ol
CID 130122720
trans-(2S,4S)-4-hydroxy-2-[(E)-octadec-9-enoyl]cyclohexane-1,3-dione
CID 162905253
(2S,7R)-7-hydroxy-2-[(E)-oct-1-enyl]-3,5,6,7-tetrahydro-2H-1-benzofuran-4-one
CID 46833711
(2Z)-2-[[(4-ethylphenyl)sulfonylmethylamino]methylidene]-3-hydroxycyclopentan-1-one
CID 170360863
[(E)-henicos-19-enyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 101316385
dodeca-1,3,10-trien-1-ol
CID 173156092

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-hydroxy-2-[(2E,7Z)-nona-2,7-dienylidene]cyclopentan-1-one?
The IUPAC name of (2Z)-3-hydroxy-2-[(2E,7Z)-nona-2,7-dienylidene]cyclopentan-1-one (CID 177403192) is (2Z)-3-hydroxy-2-[(2E,7Z)-nona-2,7-dienylidene]cyclopentan-1-one.
What is the SMILES notation for (2Z)-3-hydroxy-2-[(2E,7Z)-nona-2,7-dienylidene]cyclopentan-1-one?
The canonical SMILES for (2Z)-3-hydroxy-2-[(2E,7Z)-nona-2,7-dienylidene]cyclopentan-1-one is C/C=C\CCC/C=C/C=C1\C(=O)CCC1O.
What is the InChIKey of (2Z)-3-hydroxy-2-[(2E,7Z)-nona-2,7-dienylidene]cyclopentan-1-one?
The InChIKey is GNHXUYVRQQQIHR-XJAJUMTESA-N. The full InChI is InChI=1S/C14H20O2/c1-2-3-4-5-6-7-8-9-12-13(15)10-11-14(12)16/h2-3,7-9,13,15H,4-6,10-11H2,1H3/b3-2-,8-7+,12-9-.
What are the key properties of (2Z)-3-hydroxy-2-[(2E,7Z)-nona-2,7-dienylidene]cyclopentan-1-one?
(2Z)-3-hydroxy-2-[(2E,7Z)-nona-2,7-dienylidene]cyclopentan-1-one has a molecular weight of 220.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-hydroxy-2-[(2E,7Z)-nona-2,7-dienylidene]cyclopentan-1-one is sourced from PubChem (CID 177403192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).