4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol

C16H32O2 — CID 170849392

IUPAC4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol
SMILESCCCCCCCCCC[C@H]1O[C@H]1CCCCO
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-12-15-16(18-15)13-10-11-14-17/h15-17H,2-14H2,1H3/t15-,16+/m1/s1
InChIKeyQWUVKWXNLCQQDN-CVEARBPZSA-N
MW256.43 g/mol
LogP4.45
Rot. Bonds13

About 4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol

4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol (PubChem CID 170849392) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol.

Molecular Properties

Compound Name4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol
PubChem CID170849392
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol
SMILESCCCCCCCCCC[C@H]1O[C@H]1CCCCO
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-12-15-16(18-15)13-10-11-14-17/h15-17H,2-14H2,1H3/t15-,16+/m1/s1
InChIKeyQWUVKWXNLCQQDN-CVEARBPZSA-N
XLogP4.45
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol?
The IUPAC name of 4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol (CID 170849392) is 4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol.
What is the SMILES notation for 4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol?
The canonical SMILES for 4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol is CCCCCCCCCC[C@H]1O[C@H]1CCCCO.
What is the InChIKey of 4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol?
The InChIKey is QWUVKWXNLCQQDN-CVEARBPZSA-N. The full InChI is InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-12-15-16(18-15)13-10-11-14-17/h15-17H,2-14H2,1H3/t15-,16+/m1/s1.
What are the key properties of 4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol?
4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 4.45, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,3R)-3-decyloxiran-2-yl]butan-1-ol is sourced from PubChem (CID 170849392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).