1-[(E)-3,3-diethoxyprop-1-enyl]cyclohexan-1-ol

C13H24O3 — CID 171483666

IUPAC1-[(E)-3,3-diethoxyprop-1-enyl]cyclohexan-1-ol
SMILESCCOC(/C=C/C1(O)CCCCC1)OCC
InChIInChI=1S/C13H24O3/c1-3-15-12(16-4-2)8-11-13(14)9-6-5-7-10-13/h8,11-12,14H,3-7,9-10H2,1-2H3/b11-8+
InChIKeyRVSRXAYXFJNMQE-DHZHZOJOSA-N
MW228.33 g/mol
LogP2.64
Rot. Bonds6

About 1-[(E)-3,3-diethoxyprop-1-enyl]cyclohexan-1-ol

1-[(E)-3,3-diethoxyprop-1-enyl]cyclohexan-1-ol (PubChem CID 171483666) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-[(E)-3,3-diethoxyprop-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-3,3-diethoxyprop-1-enyl]cyclohexan-1-ol
PubChem CID171483666
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name1-[(E)-3,3-diethoxyprop-1-enyl]cyclohexan-1-ol
SMILESCCOC(/C=C/C1(O)CCCCC1)OCC
InChIInChI=1S/C13H24O3/c1-3-15-12(16-4-2)8-11-13(14)9-6-5-7-10-13/h8,11-12,14H,3-7,9-10H2,1-2H3/b11-8+
InChIKeyRVSRXAYXFJNMQE-DHZHZOJOSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-diethoxyprop-1-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-3,3-diethoxyprop-1-enyl]cyclohexan-1-ol (CID 171483666) is 1-[(E)-3,3-diethoxyprop-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-3,3-diethoxyprop-1-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-3,3-diethoxyprop-1-enyl]cyclohexan-1-ol is CCOC(/C=C/C1(O)CCCCC1)OCC.
What is the InChIKey of 1-[(E)-3,3-diethoxyprop-1-enyl]cyclohexan-1-ol?
The InChIKey is RVSRXAYXFJNMQE-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-15-12(16-4-2)8-11-13(14)9-6-5-7-10-13/h8,11-12,14H,3-7,9-10H2,1-2H3/b11-8+.
What are the key properties of 1-[(E)-3,3-diethoxyprop-1-enyl]cyclohexan-1-ol?
1-[(E)-3,3-diethoxyprop-1-enyl]cyclohexan-1-ol has a molecular weight of 228.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-diethoxyprop-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 171483666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).