2-(4-ethoxycyclohex-2-en-1-yl)propan-2-ol

C11H20O2 — CID 166567787

IUPAC2-(4-ethoxycyclohex-2-en-1-yl)propan-2-ol
SMILESCCOC1C=CC(C(C)(C)O)CC1
InChIInChI=1S/C11H20O2/c1-4-13-10-7-5-9(6-8-10)11(2,3)12/h5,7,9-10,12H,4,6,8H2,1-3H3
InChIKeyVBCQDYGGNMUQSQ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.13
Rot. Bonds3

About 2-(4-ethoxycyclohex-2-en-1-yl)propan-2-ol

2-(4-ethoxycyclohex-2-en-1-yl)propan-2-ol (PubChem CID 166567787) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(4-ethoxycyclohex-2-en-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-ethoxycyclohex-2-en-1-yl)propan-2-ol
PubChem CID166567787
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-(4-ethoxycyclohex-2-en-1-yl)propan-2-ol
SMILESCCOC1C=CC(C(C)(C)O)CC1
InChIInChI=1S/C11H20O2/c1-4-13-10-7-5-9(6-8-10)11(2,3)12/h5,7,9-10,12H,4,6,8H2,1-3H3
InChIKeyVBCQDYGGNMUQSQ-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-4-Hydroxy-alpha,alpha,4-trimethylcyclohex-2-ene-1-methanol
CID 6431169
2-Cyclohexene-1-methanol, 4-hydroxy-alpha,alpha,4-trimethyl-, (1R,4R)-
CID 6431170
Cannabinol, tetrahydro-
CID 3034462
4-Hydroxy-alpha,alpha,4-trimethylcyclohex-2-ene-1-methanol
CID 92632
cis-1,8-Dihydroxymenth-2-ene
CID 12618693
1-Ethoxy-p-menth-2-ene
CID 92004572
(1S,4S)-4-(2-hydroxypropan-2-yl)-1-methylcyclohex-2-en-1-ol
CID 20837874
(E,2S,5R)-7-[(2S)-2-methyloxolan-2-yl]-5-propan-2-ylhept-6-en-2-ol
CID 162905306
2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol
CID 162949977
(1S,5S,6R)-6-[(2S)-but-3-en-2-yl]-5-(2-hydroxy-2-methylpropyl)-3-methylcyclohex-2-en-1-ol
CID 163074328
Methanol, [6,8,9-trimethyl-4-(1-propenyl)-3-oxabicyclo[3.3.1]non-6-en-1-yl]-
CID 5335376
Cambridge id 5611363
CID 2855385

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxycyclohex-2-en-1-yl)propan-2-ol?
The IUPAC name of 2-(4-ethoxycyclohex-2-en-1-yl)propan-2-ol (CID 166567787) is 2-(4-ethoxycyclohex-2-en-1-yl)propan-2-ol.
What is the SMILES notation for 2-(4-ethoxycyclohex-2-en-1-yl)propan-2-ol?
The canonical SMILES for 2-(4-ethoxycyclohex-2-en-1-yl)propan-2-ol is CCOC1C=CC(C(C)(C)O)CC1.
What is the InChIKey of 2-(4-ethoxycyclohex-2-en-1-yl)propan-2-ol?
The InChIKey is VBCQDYGGNMUQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-13-10-7-5-9(6-8-10)11(2,3)12/h5,7,9-10,12H,4,6,8H2,1-3H3.
What are the key properties of 2-(4-ethoxycyclohex-2-en-1-yl)propan-2-ol?
2-(4-ethoxycyclohex-2-en-1-yl)propan-2-ol has a molecular weight of 184.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxycyclohex-2-en-1-yl)propan-2-ol is sourced from PubChem (CID 166567787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).