1-(3,3-diethoxyprop-1-enyl)-4,4-dimethylcyclohexan-1-ol

C15H28O3 — CID 171483623

IUPAC1-(3,3-diethoxyprop-1-enyl)-4,4-dimethylcyclohexan-1-ol
SMILESCCOC(C=CC1(O)CCC(C)(C)CC1)OCC
InChIInChI=1S/C15H28O3/c1-5-17-13(18-6-2)7-8-15(16)11-9-14(3,4)10-12-15/h7-8,13,16H,5-6,9-12H2,1-4H3
InChIKeyGJWAKIGLDXTBTQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.27
Rot. Bonds6

About 1-(3,3-diethoxyprop-1-enyl)-4,4-dimethylcyclohexan-1-ol

1-(3,3-diethoxyprop-1-enyl)-4,4-dimethylcyclohexan-1-ol (PubChem CID 171483623) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(3,3-diethoxyprop-1-enyl)-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,3-diethoxyprop-1-enyl)-4,4-dimethylcyclohexan-1-ol
PubChem CID171483623
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name1-(3,3-diethoxyprop-1-enyl)-4,4-dimethylcyclohexan-1-ol
SMILESCCOC(C=CC1(O)CCC(C)(C)CC1)OCC
InChIInChI=1S/C15H28O3/c1-5-17-13(18-6-2)7-8-15(16)11-9-14(3,4)10-12-15/h7-8,13,16H,5-6,9-12H2,1-4H3
InChIKeyGJWAKIGLDXTBTQ-UHFFFAOYSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.27
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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Related Compounds

ethyl (Z)-4,4-diethoxybut-2-enoate
CID 5355975
(Z)-1,3,3-triethoxyprop-1-ene
CID 5354783
(E)-4-bromo-1,1-diethoxybut-2-ene
CID 14179247
2-(3,3-diethoxyprop-1-enoxy)ethanol
CID 154116417
(1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
CID 104932113
(E)-but-2-enal;(E)-1,1-diethoxybut-2-ene
CID 86760888
1-butan-2-yl-4,4-dimethylcyclohexan-1-ol
CID 79446125
1-[(E)-3-methylbut-1-enyl]cyclohexan-1-ol
CID 15445552
4,4-diethoxybut-2-enylphosphonic acid
CID 74063343
1-(ethoxymethyl)-4,4-dimethylcycloheptan-1-ol
CID 79567542
4,4-dimethylcyclohexane-1,1-diol
CID 139914363
1-ethoxy-4,4-dimethylcyclohexane-1-carbaldehyde
CID 130591101

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diethoxyprop-1-enyl)-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(3,3-diethoxyprop-1-enyl)-4,4-dimethylcyclohexan-1-ol (CID 171483623) is 1-(3,3-diethoxyprop-1-enyl)-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3,3-diethoxyprop-1-enyl)-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3,3-diethoxyprop-1-enyl)-4,4-dimethylcyclohexan-1-ol is CCOC(C=CC1(O)CCC(C)(C)CC1)OCC.
What is the InChIKey of 1-(3,3-diethoxyprop-1-enyl)-4,4-dimethylcyclohexan-1-ol?
The InChIKey is GJWAKIGLDXTBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-5-17-13(18-6-2)7-8-15(16)11-9-14(3,4)10-12-15/h7-8,13,16H,5-6,9-12H2,1-4H3.
What are the key properties of 1-(3,3-diethoxyprop-1-enyl)-4,4-dimethylcyclohexan-1-ol?
1-(3,3-diethoxyprop-1-enyl)-4,4-dimethylcyclohexan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diethoxyprop-1-enyl)-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 171483623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).