(2S)-1-(2-methylpropoxy)propan-2-ol

C7H16O2 — CID 38988436

IUPAC(2S)-1-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COC[C@H](C)O
InChIInChI=1S/C7H16O2/c1-6(2)4-9-5-7(3)8/h6-8H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyMWGRRMQNSQNFID-ZETCQYMHSA-N
MW132.20 g/mol
LogP1.04
Rot. Bonds4

About (2S)-1-(2-methylpropoxy)propan-2-ol

(2S)-1-(2-methylpropoxy)propan-2-ol (PubChem CID 38988436) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is (2S)-1-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-methylpropoxy)propan-2-ol
PubChem CID38988436
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Name(2S)-1-(2-methylpropoxy)propan-2-ol
SMILESCC(C)COC[C@H](C)O
InChIInChI=1S/C7H16O2/c1-6(2)4-9-5-7(3)8/h6-8H,4-5H2,1-3H3/t7-/m0/s1
InChIKeyMWGRRMQNSQNFID-ZETCQYMHSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-(2-methylpropoxy)propan-2-ol 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 (2S)-1-(2-methylpropoxy)propan-2-ol?
The IUPAC name of (2S)-1-(2-methylpropoxy)propan-2-ol (CID 38988436) is (2S)-1-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(2-methylpropoxy)propan-2-ol is CC(C)COC[C@H](C)O.
What is the InChIKey of (2S)-1-(2-methylpropoxy)propan-2-ol?
The InChIKey is MWGRRMQNSQNFID-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16O2/c1-6(2)4-9-5-7(3)8/h6-8H,4-5H2,1-3H3/t7-/m0/s1.
What are the key properties of (2S)-1-(2-methylpropoxy)propan-2-ol?
(2S)-1-(2-methylpropoxy)propan-2-ol has a molecular weight of 132.20 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 38988436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).