(3S)-3-propan-2-yloxolan-3-ol

C7H14O2 — CID 95379239

IUPAC(3S)-3-propan-2-yloxolan-3-ol
SMILESCC(C)[C@@]1(O)CCOC1
InChIInChI=1S/C7H14O2/c1-6(2)7(8)3-4-9-5-7/h6,8H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyJDDAUAFMBIXUHD-SSDOTTSWSA-N
MW130.19 g/mol
LogP0.79
Rot. Bonds1

About (3S)-3-propan-2-yloxolan-3-ol

(3S)-3-propan-2-yloxolan-3-ol (PubChem CID 95379239) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (3S)-3-propan-2-yloxolan-3-ol.

Molecular Properties

Compound Name(3S)-3-propan-2-yloxolan-3-ol
PubChem CID95379239
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(3S)-3-propan-2-yloxolan-3-ol
SMILESCC(C)[C@@]1(O)CCOC1
InChIInChI=1S/C7H14O2/c1-6(2)7(8)3-4-9-5-7/h6,8H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyJDDAUAFMBIXUHD-SSDOTTSWSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethyloxolan-3-ol
CID 34744
3-Furanol, tetrahydro-2,5,5-trimethyl-
CID 34714
3-Ethyl-2,2,5,5-tetramethyloxolan-3-ol
CID 32273
1,4-Anhydro-3,5-dideoxy-2-C-ethyl-1,1-dimethylpentitol
CID 34715
3-Furanmethanol, tetrahydro-4-hydroxy-2,2,5,5-tetramethyl-
CID 34725
Tetrahydro-2,2,3,5,5-pentamethyl-3-furanol
CID 34731
3-Furanol, tetrahydro-2,2,4,5,5-pentamethyl-
CID 34732
3-Furanol, tetrahydro-5-ethyl-5-methyl-
CID 34773
2-(Oxolan-3-yl)propan-2-ol
CID 57470139
3-Isopropyltetrahydrofuran-3-OL
CID 58551503
(2,2-Dimethyloxolan-3-yl)methanol
CID 121606005
2,2-Dimethyloxolan-3-ol
CID 13327310

Frequently Asked Questions

What is the IUPAC name of (3S)-3-propan-2-yloxolan-3-ol?
The IUPAC name of (3S)-3-propan-2-yloxolan-3-ol (CID 95379239) is (3S)-3-propan-2-yloxolan-3-ol.
What is the SMILES notation for (3S)-3-propan-2-yloxolan-3-ol?
The canonical SMILES for (3S)-3-propan-2-yloxolan-3-ol is CC(C)[C@@]1(O)CCOC1.
What is the InChIKey of (3S)-3-propan-2-yloxolan-3-ol?
The InChIKey is JDDAUAFMBIXUHD-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14O2/c1-6(2)7(8)3-4-9-5-7/h6,8H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of (3S)-3-propan-2-yloxolan-3-ol?
(3S)-3-propan-2-yloxolan-3-ol has a molecular weight of 130.19 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propan-2-yloxolan-3-ol is sourced from PubChem (CID 95379239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).