(4E)-4-ethylidene-2-propoxycyclohexan-1-ol

C11H20O2 — CID 118659403

IUPAC(4E)-4-ethylidene-2-propoxycyclohexan-1-ol
SMILESC/C=C1\CCC(O)C(OCCC)C1
InChIInChI=1S/C11H20O2/c1-3-7-13-11-8-9(4-2)5-6-10(11)12/h4,10-12H,3,5-8H2,1-2H3/b9-4+
InChIKeyBPKHQNOYGCYSNX-RUDMXATFSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds3

About (4E)-4-ethylidene-2-propoxycyclohexan-1-ol

(4E)-4-ethylidene-2-propoxycyclohexan-1-ol (PubChem CID 118659403) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4E)-4-ethylidene-2-propoxycyclohexan-1-ol.

Molecular Properties

Compound Name(4E)-4-ethylidene-2-propoxycyclohexan-1-ol
PubChem CID118659403
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4E)-4-ethylidene-2-propoxycyclohexan-1-ol
SMILESC/C=C1\CCC(O)C(OCCC)C1
InChIInChI=1S/C11H20O2/c1-3-7-13-11-8-9(4-2)5-6-10(11)12/h4,10-12H,3,5-8H2,1-2H3/b9-4+
InChIKeyBPKHQNOYGCYSNX-RUDMXATFSA-N
XLogP2.27
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 ≤ 52.27
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 (4E)-4-ethylidene-2-propoxycyclohexan-1-ol?
The IUPAC name of (4E)-4-ethylidene-2-propoxycyclohexan-1-ol (CID 118659403) is (4E)-4-ethylidene-2-propoxycyclohexan-1-ol.
What is the SMILES notation for (4E)-4-ethylidene-2-propoxycyclohexan-1-ol?
The canonical SMILES for (4E)-4-ethylidene-2-propoxycyclohexan-1-ol is C/C=C1\CCC(O)C(OCCC)C1.
What is the InChIKey of (4E)-4-ethylidene-2-propoxycyclohexan-1-ol?
The InChIKey is BPKHQNOYGCYSNX-RUDMXATFSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-7-13-11-8-9(4-2)5-6-10(11)12/h4,10-12H,3,5-8H2,1-2H3/b9-4+.
What are the key properties of (4E)-4-ethylidene-2-propoxycyclohexan-1-ol?
(4E)-4-ethylidene-2-propoxycyclohexan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-ethylidene-2-propoxycyclohexan-1-ol is sourced from PubChem (CID 118659403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).