5-ethylcyclohex-2-ene-1,2-diol

C8H14O2 — CID 122633399

IUPAC5-ethylcyclohex-2-ene-1,2-diol
SMILESCCC1CC=C(O)C(O)C1
InChIInChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h4,6,8-10H,2-3,5H2,1H3
InChIKeyRBMNIIBMXWBDJX-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.61
Rot. Bonds1

About 5-ethylcyclohex-2-ene-1,2-diol

5-ethylcyclohex-2-ene-1,2-diol (PubChem CID 122633399) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-ethylcyclohex-2-ene-1,2-diol.

Molecular Properties

Compound Name5-ethylcyclohex-2-ene-1,2-diol
PubChem CID122633399
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name5-ethylcyclohex-2-ene-1,2-diol
SMILESCCC1CC=C(O)C(O)C1
InChIInChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h4,6,8-10H,2-3,5H2,1H3
InChIKeyRBMNIIBMXWBDJX-UHFFFAOYSA-N
XLogP1.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-ol
CID 527822
(-)-trans-Isopiperitenol
CID 439410
(1R,6S)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 11579163
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethenyl)-, (1R,6R)-
CID 12311192
(1R,2R,6S)-3-methyl-6-(1-methylethenyl)cyclohex-3-ene-1,2-diol
CID 53257409
3-Cyclohexene-1-methanol, alpha-hydroxymethyl-
CID 93350
(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol
CID 10608259
(1S,2S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
CID 53261055
(1R,2S,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
CID 53261056
(1S,2R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
CID 53261058
(1R,2R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
CID 53261209
(1S,2R,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-3-ene-1,2-diol
CID 56666463

Frequently Asked Questions

What is the IUPAC name of 5-ethylcyclohex-2-ene-1,2-diol?
The IUPAC name of 5-ethylcyclohex-2-ene-1,2-diol (CID 122633399) is 5-ethylcyclohex-2-ene-1,2-diol.
What is the SMILES notation for 5-ethylcyclohex-2-ene-1,2-diol?
The canonical SMILES for 5-ethylcyclohex-2-ene-1,2-diol is CCC1CC=C(O)C(O)C1.
What is the InChIKey of 5-ethylcyclohex-2-ene-1,2-diol?
The InChIKey is RBMNIIBMXWBDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h4,6,8-10H,2-3,5H2,1H3.
What are the key properties of 5-ethylcyclohex-2-ene-1,2-diol?
5-ethylcyclohex-2-ene-1,2-diol has a molecular weight of 142.20 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylcyclohex-2-ene-1,2-diol is sourced from PubChem (CID 122633399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).