4-[2-(2-hydroxyethoxy)propan-2-yl]-1-methylcyclohex-2-en-1-ol

C12H22O3 — CID 20767220

IUPAC4-[2-(2-hydroxyethoxy)propan-2-yl]-1-methylcyclohex-2-en-1-ol
SMILESCC1(O)C=CC(C(C)(C)OCCO)CC1
InChIInChI=1S/C12H22O3/c1-11(2,15-9-8-13)10-4-6-12(3,14)7-5-10/h4,6,10,13-14H,5,7-9H2,1-3H3
InChIKeyOPMZIJQTECPFNA-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.49
Rot. Bonds4

About 4-[2-(2-hydroxyethoxy)propan-2-yl]-1-methylcyclohex-2-en-1-ol

4-[2-(2-hydroxyethoxy)propan-2-yl]-1-methylcyclohex-2-en-1-ol (PubChem CID 20767220) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)propan-2-yl]-1-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)propan-2-yl]-1-methylcyclohex-2-en-1-ol
PubChem CID20767220
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name4-[2-(2-hydroxyethoxy)propan-2-yl]-1-methylcyclohex-2-en-1-ol
SMILESCC1(O)C=CC(C(C)(C)OCCO)CC1
InChIInChI=1S/C12H22O3/c1-11(2,15-9-8-13)10-4-6-12(3,14)7-5-10/h4,6,10,13-14H,5,7-9H2,1-3H3
InChIKeyOPMZIJQTECPFNA-UHFFFAOYSA-N
XLogP1.49
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,4S)-4-hydroxy-4-methylcyclohex-2-en-1-yl] acetate
CID 10559066
(4S)-1,4-dimethylcyclohex-2-en-1-ol
CID 89083200
(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
CID 156648702
CID 156648702
(6R)-6-tert-butyl-3,3-dimethylcyclohexene
CID 59592096
2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]ethanol
CID 3016990
(1S,4R)-4-[(E,2S)-6-hydroperoxy-6-methylhept-4-en-2-yl]-1-methylcyclohex-2-en-1-ol
CID 162958185
1-methyl-4-(2-methylcyclopropyl)cyclohex-2-en-1-ol
CID 123761074
2-[3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxyethanol
CID 12660638
2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
CID 123380088
1-(2-hydroxyethoxy)ethane-1,1-diol
CID 173404401

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethoxy)propan-2-yl]-1-methylcyclohex-2-en-1-ol?
The IUPAC name of 4-[2-(2-hydroxyethoxy)propan-2-yl]-1-methylcyclohex-2-en-1-ol (CID 20767220) is 4-[2-(2-hydroxyethoxy)propan-2-yl]-1-methylcyclohex-2-en-1-ol.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)propan-2-yl]-1-methylcyclohex-2-en-1-ol?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)propan-2-yl]-1-methylcyclohex-2-en-1-ol is CC1(O)C=CC(C(C)(C)OCCO)CC1.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)propan-2-yl]-1-methylcyclohex-2-en-1-ol?
The InChIKey is OPMZIJQTECPFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-11(2,15-9-8-13)10-4-6-12(3,14)7-5-10/h4,6,10,13-14H,5,7-9H2,1-3H3.
What are the key properties of 4-[2-(2-hydroxyethoxy)propan-2-yl]-1-methylcyclohex-2-en-1-ol?
4-[2-(2-hydroxyethoxy)propan-2-yl]-1-methylcyclohex-2-en-1-ol has a molecular weight of 214.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)propan-2-yl]-1-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 20767220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).