2-prop-2-enoxy-4-prop-1-enylcyclohexan-1-ol

C12H20O2 — CID 57259980

IUPAC2-prop-2-enoxy-4-prop-1-enylcyclohexan-1-ol
SMILESC=CCOC1CC(C=CC)CCC1O
InChIInChI=1S/C12H20O2/c1-3-5-10-6-7-11(13)12(9-10)14-8-4-2/h3-5,10-13H,2,6-9H2,1H3
InChIKeyPYJYWECTZFAAJF-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.29
Rot. Bonds4

About 2-prop-2-enoxy-4-prop-1-enylcyclohexan-1-ol

2-prop-2-enoxy-4-prop-1-enylcyclohexan-1-ol (PubChem CID 57259980) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-prop-2-enoxy-4-prop-1-enylcyclohexan-1-ol.

Molecular Properties

Compound Name2-prop-2-enoxy-4-prop-1-enylcyclohexan-1-ol
PubChem CID57259980
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-prop-2-enoxy-4-prop-1-enylcyclohexan-1-ol
SMILESC=CCOC1CC(C=CC)CCC1O
InChIInChI=1S/C12H20O2/c1-3-5-10-6-7-11(13)12(9-10)14-8-4-2/h3-5,10-13H,2,6-9H2,1H3
InChIKeyPYJYWECTZFAAJF-UHFFFAOYSA-N
XLogP2.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
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 2-prop-2-enoxy-4-prop-1-enylcyclohexan-1-ol?
The IUPAC name of 2-prop-2-enoxy-4-prop-1-enylcyclohexan-1-ol (CID 57259980) is 2-prop-2-enoxy-4-prop-1-enylcyclohexan-1-ol.
What is the SMILES notation for 2-prop-2-enoxy-4-prop-1-enylcyclohexan-1-ol?
The canonical SMILES for 2-prop-2-enoxy-4-prop-1-enylcyclohexan-1-ol is C=CCOC1CC(C=CC)CCC1O.
What is the InChIKey of 2-prop-2-enoxy-4-prop-1-enylcyclohexan-1-ol?
The InChIKey is PYJYWECTZFAAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-5-10-6-7-11(13)12(9-10)14-8-4-2/h3-5,10-13H,2,6-9H2,1H3.
What are the key properties of 2-prop-2-enoxy-4-prop-1-enylcyclohexan-1-ol?
2-prop-2-enoxy-4-prop-1-enylcyclohexan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxy-4-prop-1-enylcyclohexan-1-ol is sourced from PubChem (CID 57259980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).