3-(2-hydroxyethyl)-6-propan-2-ylcyclohex-3-en-1-ol

C11H20O2 — CID 133065488

IUPAC3-(2-hydroxyethyl)-6-propan-2-ylcyclohex-3-en-1-ol
SMILESCC(C)C1CC=C(CCO)CC1O
InChIInChI=1S/C11H20O2/c1-8(2)10-4-3-9(5-6-12)7-11(10)13/h3,8,10-13H,4-7H2,1-2H3
InChIKeyHPEKLICXTZYQBD-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.72
Rot. Bonds3

About 3-(2-hydroxyethyl)-6-propan-2-ylcyclohex-3-en-1-ol

3-(2-hydroxyethyl)-6-propan-2-ylcyclohex-3-en-1-ol (PubChem CID 133065488) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-6-propan-2-ylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-6-propan-2-ylcyclohex-3-en-1-ol
PubChem CID133065488
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name3-(2-hydroxyethyl)-6-propan-2-ylcyclohex-3-en-1-ol
SMILESCC(C)C1CC=C(CCO)CC1O
InChIInChI=1S/C11H20O2/c1-8(2)10-4-3-9(5-6-12)7-11(10)13/h3,8,10-13H,4-7H2,1-2H3
InChIKeyHPEKLICXTZYQBD-UHFFFAOYSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-6-propan-2-ylcyclohex-3-en-1-ol?
The IUPAC name of 3-(2-hydroxyethyl)-6-propan-2-ylcyclohex-3-en-1-ol (CID 133065488) is 3-(2-hydroxyethyl)-6-propan-2-ylcyclohex-3-en-1-ol.
What is the SMILES notation for 3-(2-hydroxyethyl)-6-propan-2-ylcyclohex-3-en-1-ol?
The canonical SMILES for 3-(2-hydroxyethyl)-6-propan-2-ylcyclohex-3-en-1-ol is CC(C)C1CC=C(CCO)CC1O.
What is the InChIKey of 3-(2-hydroxyethyl)-6-propan-2-ylcyclohex-3-en-1-ol?
The InChIKey is HPEKLICXTZYQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)10-4-3-9(5-6-12)7-11(10)13/h3,8,10-13H,4-7H2,1-2H3.
What are the key properties of 3-(2-hydroxyethyl)-6-propan-2-ylcyclohex-3-en-1-ol?
3-(2-hydroxyethyl)-6-propan-2-ylcyclohex-3-en-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-6-propan-2-ylcyclohex-3-en-1-ol is sourced from PubChem (CID 133065488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).