1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol

C10H16O2 — CID 14263532

IUPAC1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)C1C=CC(O)(CO)CC1
InChIInChI=1S/C10H16O2/c1-8(2)9-3-5-10(12,7-11)6-4-9/h3,5,9,11-12H,1,4,6-7H2,2H3
InChIKeyZENWKJRXARYCGC-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.25
Rot. Bonds2

About 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol

1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol (PubChem CID 14263532) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol
PubChem CID14263532
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol
SMILESC=C(C)C1C=CC(O)(CO)CC1
InChIInChI=1S/C10H16O2/c1-8(2)9-3-5-10(12,7-11)6-4-9/h3,5,9,11-12H,1,4,6-7H2,2H3
InChIKeyZENWKJRXARYCGC-UHFFFAOYSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,4S)-1-ethyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 130265222
[(1S)-1-hydroxy-4-prop-1-en-2-ylcyclohex-2-en-1-yl]methyl acetate
CID 90382192
(1S,4S)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 12618691
argon;(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 159755681
3-(methoxymethoxy)-3-methyl-6-prop-1-en-2-ylcyclohexene
CID 562417
6-(1,1-dideuterioprop-1-en-2-yl)-3,3-dimethylcyclohexene
CID 167650322
3-methyl-3-methylperoxy-6-prop-1-en-2-ylcyclohexene
CID 140938961
(8S)-8-prop-1-en-2-yl-1-oxaspiro[4.5]dec-6-en-2-one
CID 101145323
1-[(1S,4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-yl]peroxydecan-1-ol
CID 140938948
trans-(1R,2R)-1-(hydroxymethyl)-2-prop-1-en-2-ylcyclopentan-1-ol
CID 131856211
(4R)-1-methyl-4-prop-1-en-2-ylcyclohex-2-en-1-ol;(4R)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane;sulfanylidene-[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 157276435
4-methyl-1-(2-methylbutyl)cyclohex-2-en-1-ol
CID 165491600

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol?
The IUPAC name of 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol (CID 14263532) is 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol is C=C(C)C1C=CC(O)(CO)CC1.
What is the InChIKey of 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol?
The InChIKey is ZENWKJRXARYCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-8(2)9-3-5-10(12,7-11)6-4-9/h3,5,9,11-12H,1,4,6-7H2,2H3.
What are the key properties of 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol?
1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-4-prop-1-en-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 14263532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).