1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol

C15H28O2 — CID 116754863

IUPAC1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol
SMILESC=CCCCC(O)C1(OCC)CCC(C)CC1
InChIInChI=1S/C15H28O2/c1-4-6-7-8-14(16)15(17-5-2)11-9-13(3)10-12-15/h4,13-14,16H,1,5-12H2,2-3H3
InChIKeySAZSJNOPYRYUST-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.69
Rot. Bonds7

About 1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol

1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol (PubChem CID 116754863) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol.

Molecular Properties

Compound Name1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol
PubChem CID116754863
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol
SMILESC=CCCCC(O)C1(OCC)CCC(C)CC1
InChIInChI=1S/C15H28O2/c1-4-6-7-8-14(16)15(17-5-2)11-9-13(3)10-12-15/h4,13-14,16H,1,5-12H2,2-3H3
InChIKeySAZSJNOPYRYUST-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethoxycyclopentyl)oct-7-en-1-ol
CID 107008722
1-(1-methoxy-4-methylcyclohexyl)pent-4-en-1-ol
CID 116754607
1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol
CID 116754811
1-(1-methoxycyclobutyl)hex-5-en-1-ol
CID 116710636
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)hex-5-en-1-amine
CID 116766659
1-(1-ethoxy-4-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116754852
1-(1-methoxycyclopentyl)hex-5-en-1-ol
CID 104610355
1-(1-methoxy-4-methylcyclohexyl)but-3-en-1-ol
CID 116754516
1-(1-methoxycycloheptyl)hex-5-en-1-ol
CID 116756031
1-(1-methoxy-4-methylcyclohexyl)hexan-1-ol
CID 116754485
1-(1-ethoxy-4-methylcyclohexyl)-2-phenylethanol
CID 116754684
N-ethyl-1-(1-methoxy-4-methylcyclohexyl)oct-7-en-1-amine
CID 107009746

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol?
The IUPAC name of 1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol (CID 116754863) is 1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol.
What is the SMILES notation for 1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol?
The canonical SMILES for 1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol is C=CCCCC(O)C1(OCC)CCC(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol?
The InChIKey is SAZSJNOPYRYUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-4-6-7-8-14(16)15(17-5-2)11-9-13(3)10-12-15/h4,13-14,16H,1,5-12H2,2-3H3.
What are the key properties of 1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol?
1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4-methylcyclohexyl)hex-5-en-1-ol is sourced from PubChem (CID 116754863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).