2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol

C14H28O2 — CID 104649029

IUPAC2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCOCCCCC1CC(C(C)C)CCC1O
InChIInChI=1S/C14H28O2/c1-11(2)12-7-8-14(15)13(10-12)6-4-5-9-16-3/h11-15H,4-10H2,1-3H3
InChIKeyQPKHIPADSUBCAE-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.24
Rot. Bonds6

About 2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol

2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 104649029) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID104649029
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCOCCCCC1CC(C(C)C)CCC1O
InChIInChI=1S/C14H28O2/c1-11(2)12-7-8-14(15)13(10-12)6-4-5-9-16-3/h11-15H,4-10H2,1-3H3
InChIKeyQPKHIPADSUBCAE-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

Menthol
CID 1254
(-)-Menthol
CID 16666
(+)-Neomenthol
CID 439263
(+)-Menthol
CID 165675
P-Menthane-3,8-diol
CID 556998
Isomenthol, (+)-
CID 45056
Neoisomenthol
CID 19244
Menthoglycol
CID 19100
Isomenthol
CID 6432468
4-tert-Butylcyclohexanol
CID 7391
(-)-Neomenthol
CID 6566020
4-Isopropylcyclohexanol
CID 20739

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol (CID 104649029) is 2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol is COCCCCC1CC(C(C)C)CCC1O.
What is the InChIKey of 2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is QPKHIPADSUBCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-11(2)12-7-8-14(15)13(10-12)6-4-5-9-16-3/h11-15H,4-10H2,1-3H3.
What are the key properties of 2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol?
2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-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 2-(4-methoxybutyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 104649029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).