[4-(2-methylpropyl)oxan-4-yl]methanol

C10H20O2 — CID 59004409

IUPAC[4-(2-methylpropyl)oxan-4-yl]methanol
SMILESCC(C)CC1(CO)CCOCC1
InChIInChI=1S/C10H20O2/c1-9(2)7-10(8-11)3-5-12-6-4-10/h9,11H,3-8H2,1-2H3
InChIKeyJOGLTXKLHRHHKV-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.82
Rot. Bonds3

About [4-(2-methylpropyl)oxan-4-yl]methanol

[4-(2-methylpropyl)oxan-4-yl]methanol (PubChem CID 59004409) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is [4-(2-methylpropyl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-methylpropyl)oxan-4-yl]methanol
PubChem CID59004409
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name[4-(2-methylpropyl)oxan-4-yl]methanol
SMILESCC(C)CC1(CO)CCOCC1
InChIInChI=1S/C10H20O2/c1-9(2)7-10(8-11)3-5-12-6-4-10/h9,11H,3-8H2,1-2H3
InChIKeyJOGLTXKLHRHHKV-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(2-methylpropyl)oxan-4-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

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)oxan-4-yl]methanol?
The IUPAC name of [4-(2-methylpropyl)oxan-4-yl]methanol (CID 59004409) is [4-(2-methylpropyl)oxan-4-yl]methanol.
What is the SMILES notation for [4-(2-methylpropyl)oxan-4-yl]methanol?
The canonical SMILES for [4-(2-methylpropyl)oxan-4-yl]methanol is CC(C)CC1(CO)CCOCC1.
What is the InChIKey of [4-(2-methylpropyl)oxan-4-yl]methanol?
The InChIKey is JOGLTXKLHRHHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(2)7-10(8-11)3-5-12-6-4-10/h9,11H,3-8H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)oxan-4-yl]methanol?
[4-(2-methylpropyl)oxan-4-yl]methanol has a molecular weight of 172.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)oxan-4-yl]methanol is sourced from PubChem (CID 59004409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).