1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol

C8H16O2 — CID 10419307

IUPAC1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol
SMILESCCCCC(O)[C@@H]1O[C@H]1C
InChIInChI=1S/C8H16O2/c1-3-4-5-7(9)8-6(2)10-8/h6-9H,3-5H2,1-2H3/t6-,7?,8+/m0/s1
InChIKeySEHZTEMYUSPLDG-YPVSKDHRSA-N
MW144.21 g/mol
LogP1.32
Rot. Bonds4

About 1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol

1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol (PubChem CID 10419307) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol.

Molecular Properties

Compound Name1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol
PubChem CID10419307
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol
SMILESCCCCC(O)[C@@H]1O[C@H]1C
InChIInChI=1S/C8H16O2/c1-3-4-5-7(9)8-6(2)10-8/h6-9H,3-5H2,1-2H3/t6-,7?,8+/m0/s1
InChIKeySEHZTEMYUSPLDG-YPVSKDHRSA-N
XLogP1.32
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol?
The IUPAC name of 1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol (CID 10419307) is 1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol.
What is the SMILES notation for 1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol?
The canonical SMILES for 1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol is CCCCC(O)[C@@H]1O[C@H]1C.
What is the InChIKey of 1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol?
The InChIKey is SEHZTEMYUSPLDG-YPVSKDHRSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-4-5-7(9)8-6(2)10-8/h6-9H,3-5H2,1-2H3/t6-,7?,8+/m0/s1.
What are the key properties of 1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol?
1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol has a molecular weight of 144.21 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3S)-3-methyloxiran-2-yl]pentan-1-ol is sourced from PubChem (CID 10419307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).