3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol

C13H26O2 — CID 16734861

IUPAC3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
SMILESCC1CCC(C(C)C)C(OCCCO)C1
InChIInChI=1S/C13H26O2/c1-10(2)12-6-5-11(3)9-13(12)15-8-4-7-14/h10-14H,4-9H2,1-3H3
InChIKeyURTXFGWQPXMJFF-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.85
Rot. Bonds5

About 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol

3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol (PubChem CID 16734861) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol.

Molecular Properties

Compound Name3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
PubChem CID16734861
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
SMILESCC1CCC(C(C)C)C(OCCCO)C1
InChIInChI=1S/C13H26O2/c1-10(2)12-6-5-11(3)9-13(12)15-8-4-7-14/h10-14H,4-9H2,1-3H3
InChIKeyURTXFGWQPXMJFF-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine
CID 54966296
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1-sulfonic acid
CID 87267060
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62572050
N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
CID 55088056
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
CID 62445917
(1S,2R,4R)-2-but-3-enoxy-4-methyl-1-propan-2-ylcyclohexane
CID 59927770
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol?
The IUPAC name of 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol (CID 16734861) is 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol.
What is the SMILES notation for 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol?
The canonical SMILES for 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol is CC1CCC(C(C)C)C(OCCCO)C1.
What is the InChIKey of 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol?
The InChIKey is URTXFGWQPXMJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-10(2)12-6-5-11(3)9-13(12)15-8-4-7-14/h10-14H,4-9H2,1-3H3.
What are the key properties of 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol?
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol has a molecular weight of 214.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol is sourced from PubChem (CID 16734861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).