(2S,3R)-2,3-dipentyloxirane

C12H24O — CID 11063092

IUPAC(2S,3R)-2,3-dipentyloxirane
SMILESCCCCC[C@@H]1O[C@@H]1CCCCC
InChIInChI=1S/C12H24O/c1-3-5-7-9-11-12(13-11)10-8-6-4-2/h11-12H,3-10H2,1-2H3/t11-,12+
InChIKeyYLERZYQHAUPNIA-TXEJJXNPSA-N
MW184.32 g/mol
LogP3.91
Rot. Bonds8

About (2S,3R)-2,3-dipentyloxirane

(2S,3R)-2,3-dipentyloxirane (PubChem CID 11063092) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is (2S,3R)-2,3-dipentyloxirane.

Molecular Properties

Compound Name(2S,3R)-2,3-dipentyloxirane
PubChem CID11063092
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name(2S,3R)-2,3-dipentyloxirane
SMILESCCCCC[C@@H]1O[C@@H]1CCCCC
InChIInChI=1S/C12H24O/c1-3-5-7-9-11-12(13-11)10-8-6-4-2/h11-12H,3-10H2,1-2H3/t11-,12+
InChIKeyYLERZYQHAUPNIA-TXEJJXNPSA-N
XLogP3.91
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

1-Dodecyl glycidyl ether
CID 17163
1,2-Epoxyhexadecane
CID 23741
1,2-Epoxydodecane
CID 17858
2-Butyltetrahydrofuran
CID 13861
1,2-Epoxydecane
CID 16993
1,2-Epoxytetradecane
CID 18604
1,2-Epoxyoctadecane
CID 23872
13-Oxabicyclo[10.1.0]tridecane
CID 9248
Furan, 2-heptyltetrahydro-
CID 102816
2-Hexyloxirane
CID 18126
Cyclododecane, methoxy-
CID 76334
1,2-Epoxypentadecane
CID 86768

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2,3-dipentyloxirane?
The IUPAC name of (2S,3R)-2,3-dipentyloxirane (CID 11063092) is (2S,3R)-2,3-dipentyloxirane.
What is the SMILES notation for (2S,3R)-2,3-dipentyloxirane?
The canonical SMILES for (2S,3R)-2,3-dipentyloxirane is CCCCC[C@@H]1O[C@@H]1CCCCC.
What is the InChIKey of (2S,3R)-2,3-dipentyloxirane?
The InChIKey is YLERZYQHAUPNIA-TXEJJXNPSA-N. The full InChI is InChI=1S/C12H24O/c1-3-5-7-9-11-12(13-11)10-8-6-4-2/h11-12H,3-10H2,1-2H3/t11-,12+.
What are the key properties of (2S,3R)-2,3-dipentyloxirane?
(2S,3R)-2,3-dipentyloxirane has a molecular weight of 184.32 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3-dipentyloxirane is sourced from PubChem (CID 11063092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).