(E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal

C12H20O2 — CID 102259281

IUPAC(E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal
SMILESC/C(C=O)=C\CC(O)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-10(9-13)7-8-12(14)11-5-3-2-4-6-11/h7,9,11-12,14H,2-6,8H2,1H3/b10-7+
InChIKeyPXJDOLFFGUEQAN-JXMROGBWSA-N
MW196.29 g/mol
LogP2.46
Rot. Bonds4

About (E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal

(E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal (PubChem CID 102259281) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is (E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal.

Molecular Properties

Compound Name(E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal
PubChem CID102259281
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name(E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal
SMILESC/C(C=O)=C\CC(O)C1CCCCC1
InChIInChI=1S/C12H20O2/c1-10(9-13)7-8-12(14)11-5-3-2-4-6-11/h7,9,11-12,14H,2-6,8H2,1H3/b10-7+
InChIKeyPXJDOLFFGUEQAN-JXMROGBWSA-N
XLogP2.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Glandulone C
CID 5317654
Pestalotiotone B
CID 139591228
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CID 162891245
(E,6R)-6-[(1R,2R)-2-hydroxy-4-methylcyclohex-3-en-1-yl]-2-methylhept-2-enal
CID 162891246
(E,6S)-6-[(6S)-6-hydroxy-4-methyl-3-oxocyclohexa-1,4-dien-1-yl]-2-methylhept-2-enal
CID 163193701
(E)-4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-2-enal
CID 11665627
(E)-5-hydroxy-2-methylundec-2-enal
CID 11769481
(E)-5-hydroxy-3-methylundec-2-enal
CID 14934691
8-Hydroxy-2,6-dimethyl-2-octenal
CID 71331894
2,4-Diethyl-5-hydroxyoct-2-enal
CID 72236549
(E)-2,4-diethyl-5-hydroxyoct-2-enal
CID 59169069
(E,6S)-8-hydroxy-2,6-dimethyloct-2-enal
CID 13498516

Frequently Asked Questions

What is the IUPAC name of (E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal?
The IUPAC name of (E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal (CID 102259281) is (E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal.
What is the SMILES notation for (E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal?
The canonical SMILES for (E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal is C/C(C=O)=C\CC(O)C1CCCCC1.
What is the InChIKey of (E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal?
The InChIKey is PXJDOLFFGUEQAN-JXMROGBWSA-N. The full InChI is InChI=1S/C12H20O2/c1-10(9-13)7-8-12(14)11-5-3-2-4-6-11/h7,9,11-12,14H,2-6,8H2,1H3/b10-7+.
What are the key properties of (E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal?
(E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal has a molecular weight of 196.29 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal is sourced from PubChem (CID 102259281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).