(E)-3-(2-hydroxycyclohexyl)but-2-enal

C10H16O2 — CID 10855889

IUPAC(E)-3-(2-hydroxycyclohexyl)but-2-enal
SMILESC/C(=C\C=O)C1CCCCC1O
InChIInChI=1S/C10H16O2/c1-8(6-7-11)9-4-2-3-5-10(9)12/h6-7,9-10,12H,2-5H2,1H3/b8-6+
InChIKeyGOVRRZLVEAYQPE-SOFGYWHQSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds2

About (E)-3-(2-hydroxycyclohexyl)but-2-enal

(E)-3-(2-hydroxycyclohexyl)but-2-enal (PubChem CID 10855889) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (E)-3-(2-hydroxycyclohexyl)but-2-enal.

Molecular Properties

Compound Name(E)-3-(2-hydroxycyclohexyl)but-2-enal
PubChem CID10855889
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(E)-3-(2-hydroxycyclohexyl)but-2-enal
SMILESC/C(=C\C=O)C1CCCCC1O
InChIInChI=1S/C10H16O2/c1-8(6-7-11)9-4-2-3-5-10(9)12/h6-7,9-10,12H,2-5H2,1H3/b8-6+
InChIKeyGOVRRZLVEAYQPE-SOFGYWHQSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
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

(2E)-2-[(4aR,5R,8S)-5-hydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]propanal
CID 162907933
(2Z)-2-[(4aR,5R,8S)-5-hydroxy-4a,8-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]propanal
CID 162907934
(E)-4-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)but-2-enal
CID 11665627
(E)-1-cyclohexyl-3-methylhex-3-en-1-ol
CID 11424141
(E)-5-hydroxy-2-methylundec-2-enal
CID 11769481
(E)-5-hydroxy-3-methylundec-2-enal
CID 14934691
(E,5R)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal
CID 101792905
(E)-5-cyclohexyl-5-hydroxy-2-methylpent-2-enal
CID 102259281
(E)-3-[cyclohexyl(hydroxy)methyl]hept-2-enal
CID 134890151
(2Z)-3-[cyclohexyl(hydroxy)methyl]hexa-2,5-dienal
CID 134907320
(1R,2S)-2-(3-methylbut-2-enyl)cyclohexan-1-ol
CID 185770
Cyclohexanol, 2-(2-methyl-2-butenyl)-, (1alpha,2beta(E))-
CID 6442721

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-hydroxycyclohexyl)but-2-enal?
The IUPAC name of (E)-3-(2-hydroxycyclohexyl)but-2-enal (CID 10855889) is (E)-3-(2-hydroxycyclohexyl)but-2-enal.
What is the SMILES notation for (E)-3-(2-hydroxycyclohexyl)but-2-enal?
The canonical SMILES for (E)-3-(2-hydroxycyclohexyl)but-2-enal is C/C(=C\C=O)C1CCCCC1O.
What is the InChIKey of (E)-3-(2-hydroxycyclohexyl)but-2-enal?
The InChIKey is GOVRRZLVEAYQPE-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(6-7-11)9-4-2-3-5-10(9)12/h6-7,9-10,12H,2-5H2,1H3/b8-6+.
What are the key properties of (E)-3-(2-hydroxycyclohexyl)but-2-enal?
(E)-3-(2-hydroxycyclohexyl)but-2-enal has a molecular weight of 168.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-hydroxycyclohexyl)but-2-enal is sourced from PubChem (CID 10855889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).