4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol

C14H28O2 — CID 106455962

IUPAC4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol
SMILESCCCOCCC1CC(C(C)C)CCC1O
InChIInChI=1S/C14H28O2/c1-4-8-16-9-7-13-10-12(11(2)3)5-6-14(13)15/h11-15H,4-10H2,1-3H3
InChIKeyVSBQTAGZUNYOOL-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.24
Rot. Bonds6

About 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol

4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol (PubChem CID 106455962) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol
PubChem CID106455962
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol
SMILESCCCOCCC1CC(C(C)C)CCC1O
InChIInChI=1S/C14H28O2/c1-4-8-16-9-7-13-10-12(11(2)3)5-6-14(13)15/h11-15H,4-10H2,1-3H3
InChIKeyVSBQTAGZUNYOOL-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-amine
CID 106454508
1-chloro-4-propan-2-yl-2-(2-propoxyethyl)cyclohexane
CID 106456044
2-ethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534339
2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol
CID 104649029
2-(2-fluoroethyl)-4-propan-2-ylcyclohexan-1-ol
CID 80694968
2-(2-propoxyethyl)cyclopentan-1-ol
CID 79564356
2-(4-methylpentyl)-4-propan-2-ylcyclohexan-1-ol
CID 83161089
2-(3,3-dimethylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 63459622
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-4-methylcyclohexan-1-ol
CID 104565818
2-(3-hydroxy-3-methylbutyl)-4-propan-2-ylcyclohexan-1-ol
CID 79422840
2-pent-3-ynyl-4-propan-2-ylcyclohexan-1-ol
CID 104810061
2-(2-hydroxypropyl)-4-propan-2-ylcyclohexan-1-ol
CID 79423024

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol?
The IUPAC name of 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol (CID 106455962) is 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol?
The canonical SMILES for 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol is CCCOCCC1CC(C(C)C)CCC1O.
What is the InChIKey of 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol?
The InChIKey is VSBQTAGZUNYOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-8-16-9-7-13-10-12(11(2)3)5-6-14(13)15/h11-15H,4-10H2,1-3H3.
What are the key properties of 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol?
4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(2-propoxyethyl)cyclohexan-1-ol is sourced from PubChem (CID 106455962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).