(4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol

C10H18O2 — CID 118659504

IUPAC(4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol
SMILESC/C=C1\CCC(O)C(OCC)C1
InChIInChI=1S/C10H18O2/c1-3-8-5-6-9(11)10(7-8)12-4-2/h3,9-11H,4-7H2,1-2H3/b8-3+
InChIKeyMBDDQJYUDRZUHS-FPYGCLRLSA-N
MW170.25 g/mol
LogP1.88
Rot. Bonds2

About (4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol

(4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol (PubChem CID 118659504) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol.

Molecular Properties

Compound Name(4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol
PubChem CID118659504
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol
SMILESC/C=C1\CCC(O)C(OCC)C1
InChIInChI=1S/C10H18O2/c1-3-8-5-6-9(11)10(7-8)12-4-2/h3,9-11H,4-7H2,1-2H3/b8-3+
InChIKeyMBDDQJYUDRZUHS-FPYGCLRLSA-N
XLogP1.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.88
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)-2-ethoxy-4-ethylidenecyclohexan-1-ol?
The IUPAC name of (4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol (CID 118659504) is (4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol.
What is the SMILES notation for (4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol?
The canonical SMILES for (4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol is C/C=C1\CCC(O)C(OCC)C1.
What is the InChIKey of (4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol?
The InChIKey is MBDDQJYUDRZUHS-FPYGCLRLSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-8-5-6-9(11)10(7-8)12-4-2/h3,9-11H,4-7H2,1-2H3/b8-3+.
What are the key properties of (4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol?
(4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol has a molecular weight of 170.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-ethoxy-4-ethylidenecyclohexan-1-ol is sourced from PubChem (CID 118659504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).