(3-tert-butyloxolan-2-yl)methanol

C9H18O2 — CID 85294913

IUPAC(3-tert-butyloxolan-2-yl)methanol
SMILESCC(C)(C)C1CCOC1CO
InChIInChI=1S/C9H18O2/c1-9(2,3)7-4-5-11-8(7)6-10/h7-8,10H,4-6H2,1-3H3
InChIKeyAUDIAOFTBAQYPX-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.43
Rot. Bonds1

About (3-tert-butyloxolan-2-yl)methanol

(3-tert-butyloxolan-2-yl)methanol (PubChem CID 85294913) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (3-tert-butyloxolan-2-yl)methanol.

Molecular Properties

Compound Name(3-tert-butyloxolan-2-yl)methanol
PubChem CID85294913
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(3-tert-butyloxolan-2-yl)methanol
SMILESCC(C)(C)C1CCOC1CO
InChIInChI=1S/C9H18O2/c1-9(2,3)7-4-5-11-8(7)6-10/h7-8,10H,4-6H2,1-3H3
InChIKeyAUDIAOFTBAQYPX-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-tert-butyloxolan-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

1-(2-Hydroxyethoxy)-2,2,4-trimethyl-3-pentanol
CID 111479
3-Furanol, tetrahydro-2,2,4,5,5-pentamethyl-
CID 34732
(3,3-Dimethyloxolan-2-yl)methanol
CID 12931498
(4-Methyloxolan-2-yl)methanol
CID 14379827
(4,4-Dimethyloxolan-2-yl)methanol
CID 85659205
(2,4,4-Trimethyloxolan-2-yl)methanol
CID 130122375
rac-((2R,3S)-3-methyloxolan-2-yl)methanol
CID 137952016
[(2S,5S)-3,4,5-trimethyloxolan-2-yl]methanol
CID 59783314
CID 89983494
CID 89983494
CID 90129088
CID 90129088
(3R,4R)-4-tert-butyl-2,2-difluorooxolan-3-ol
CID 174243070
3-Furanol, tetrahydro-2,2,4,4-tetramethyl-
CID 551299

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyloxolan-2-yl)methanol?
The IUPAC name of (3-tert-butyloxolan-2-yl)methanol (CID 85294913) is (3-tert-butyloxolan-2-yl)methanol.
What is the SMILES notation for (3-tert-butyloxolan-2-yl)methanol?
The canonical SMILES for (3-tert-butyloxolan-2-yl)methanol is CC(C)(C)C1CCOC1CO.
What is the InChIKey of (3-tert-butyloxolan-2-yl)methanol?
The InChIKey is AUDIAOFTBAQYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-9(2,3)7-4-5-11-8(7)6-10/h7-8,10H,4-6H2,1-3H3.
What are the key properties of (3-tert-butyloxolan-2-yl)methanol?
(3-tert-butyloxolan-2-yl)methanol has a molecular weight of 158.24 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyloxolan-2-yl)methanol is sourced from PubChem (CID 85294913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).