3-[(2S,3S)-3-methyloxolan-2-yl]propan-1-ol

C8H16O2 — CID 101477997

IUPAC3-[(2S,3S)-3-methyloxolan-2-yl]propan-1-ol
SMILESC[C@H]1CCO[C@H]1CCCO
InChIInChI=1S/C8H16O2/c1-7-4-6-10-8(7)3-2-5-9/h7-9H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyUYDRKZHEBCZPKZ-YUMQZZPRSA-N
MW144.21 g/mol
LogP1.18
Rot. Bonds3

About 3-[(2S,3S)-3-methyloxolan-2-yl]propan-1-ol

3-[(2S,3S)-3-methyloxolan-2-yl]propan-1-ol (PubChem CID 101477997) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-[(2S,3S)-3-methyloxolan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S,3S)-3-methyloxolan-2-yl]propan-1-ol
PubChem CID101477997
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-[(2S,3S)-3-methyloxolan-2-yl]propan-1-ol
SMILESC[C@H]1CCO[C@H]1CCCO
InChIInChI=1S/C8H16O2/c1-7-4-6-10-8(7)3-2-5-9/h7-9H,2-6H2,1H3/t7-,8-/m0/s1
InChIKeyUYDRKZHEBCZPKZ-YUMQZZPRSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3S)-3-methyloxolan-2-yl]propan-1-ol?
The IUPAC name of 3-[(2S,3S)-3-methyloxolan-2-yl]propan-1-ol (CID 101477997) is 3-[(2S,3S)-3-methyloxolan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S,3S)-3-methyloxolan-2-yl]propan-1-ol?
The canonical SMILES for 3-[(2S,3S)-3-methyloxolan-2-yl]propan-1-ol is C[C@H]1CCO[C@H]1CCCO.
What is the InChIKey of 3-[(2S,3S)-3-methyloxolan-2-yl]propan-1-ol?
The InChIKey is UYDRKZHEBCZPKZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H16O2/c1-7-4-6-10-8(7)3-2-5-9/h7-9H,2-6H2,1H3/t7-,8-/m0/s1.
What are the key properties of 3-[(2S,3S)-3-methyloxolan-2-yl]propan-1-ol?
3-[(2S,3S)-3-methyloxolan-2-yl]propan-1-ol has a molecular weight of 144.21 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3S)-3-methyloxolan-2-yl]propan-1-ol is sourced from PubChem (CID 101477997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).