(2-propyloxan-2-yl)methanol

C9H18O2 — CID 130609944

IUPAC(2-propyloxan-2-yl)methanol
SMILESCCCC1(CO)CCCCO1
InChIInChI=1S/C9H18O2/c1-2-5-9(8-10)6-3-4-7-11-9/h10H,2-8H2,1H3
InChIKeyZGORRJWYGYNSIS-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.72
Rot. Bonds3

About (2-propyloxan-2-yl)methanol

(2-propyloxan-2-yl)methanol (PubChem CID 130609944) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (2-propyloxan-2-yl)methanol.

Molecular Properties

Compound Name(2-propyloxan-2-yl)methanol
PubChem CID130609944
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(2-propyloxan-2-yl)methanol
SMILESCCCC1(CO)CCCCO1
InChIInChI=1S/C9H18O2/c1-2-5-9(8-10)6-3-4-7-11-9/h10H,2-8H2,1H3
InChIKeyZGORRJWYGYNSIS-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-propyloxan-2-yl)methanol 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

N-methyl-1-(2-propyloxolan-2-yl)methanamine
CID 131230120
[2-[(1-methylcyclopentyl)methyl]oxolan-2-yl]methanol
CID 130609963
[(2S)-2-(octadecoxymethyl)oxolan-2-yl]methanol
CID 10667755
2-(2-ethyloxolan-2-yl)ethanol
CID 142632895
palladium;(2-propyloxan-2-yl)silane
CID 174990969
[2-(thiadiazol-5-ylmethyl)oxan-2-yl]methanol
CID 130689937
CID 71376373
CID 71376373
2-butyl-2-ethyloxolane;methane
CID 159867268
N-methyl-2-propyloxan-2-amine
CID 155375568
2,2-bis(2-methylpropyl)oxane
CID 57237158
(6S)-6-(hydroxymethyl)-3,3-dimethyl-6-propyloxan-2-one
CID 68861388
2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane
CID 176604881

Frequently Asked Questions

What is the IUPAC name of (2-propyloxan-2-yl)methanol?
The IUPAC name of (2-propyloxan-2-yl)methanol (CID 130609944) is (2-propyloxan-2-yl)methanol.
What is the SMILES notation for (2-propyloxan-2-yl)methanol?
The canonical SMILES for (2-propyloxan-2-yl)methanol is CCCC1(CO)CCCCO1.
What is the InChIKey of (2-propyloxan-2-yl)methanol?
The InChIKey is ZGORRJWYGYNSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-2-5-9(8-10)6-3-4-7-11-9/h10H,2-8H2,1H3.
What are the key properties of (2-propyloxan-2-yl)methanol?
(2-propyloxan-2-yl)methanol has a molecular weight of 158.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propyloxan-2-yl)methanol is sourced from PubChem (CID 130609944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).