(3R)-2,2-dibutyl-3-ethenyloxirane

C12H22O — CID 154719468

IUPAC(3R)-2,2-dibutyl-3-ethenyloxirane
SMILESC=C[C@H]1OC1(CCCC)CCCC
InChIInChI=1S/C12H22O/c1-4-7-9-12(10-8-5-2)11(6-3)13-12/h6,11H,3-5,7-10H2,1-2H3/t11-/m1/s1
InChIKeyJKRTVLVLJZBWNJ-LLVKDONJSA-N
MW182.31 g/mol
LogP3.69
Rot. Bonds7

About (3R)-2,2-dibutyl-3-ethenyloxirane

(3R)-2,2-dibutyl-3-ethenyloxirane (PubChem CID 154719468) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (3R)-2,2-dibutyl-3-ethenyloxirane.

Molecular Properties

Compound Name(3R)-2,2-dibutyl-3-ethenyloxirane
PubChem CID154719468
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(3R)-2,2-dibutyl-3-ethenyloxirane
SMILESC=C[C@H]1OC1(CCCC)CCCC
InChIInChI=1S/C12H22O/c1-4-7-9-12(10-8-5-2)11(6-3)13-12/h6,11H,3-5,7-10H2,1-2H3/t11-/m1/s1
InChIKeyJKRTVLVLJZBWNJ-LLVKDONJSA-N
XLogP3.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2,2-Dimethyl-3-pent-4-enyloxirane
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2-Ethenyl-3-octyloxirane
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4-Prop-2-enoxynon-1-ene
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2-Ethenyl-2-hexyloxirane
CID 57702305
(2S,3S)-2-ethenyl-3-heptyloxirane
CID 57702326
(2S,3R)-2-decyl-3-ethenyloxirane
CID 10608538
2-Ethenyl-1-oxaspiro[2.5]octane
CID 11062454
(2R,3S)-2-cyclohexyl-3-ethenyloxirane
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2-Ethenyl-2-nonyloxirane
CID 11148283

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2-dibutyl-3-ethenyloxirane?
The IUPAC name of (3R)-2,2-dibutyl-3-ethenyloxirane (CID 154719468) is (3R)-2,2-dibutyl-3-ethenyloxirane.
What is the SMILES notation for (3R)-2,2-dibutyl-3-ethenyloxirane?
The canonical SMILES for (3R)-2,2-dibutyl-3-ethenyloxirane is C=C[C@H]1OC1(CCCC)CCCC.
What is the InChIKey of (3R)-2,2-dibutyl-3-ethenyloxirane?
The InChIKey is JKRTVLVLJZBWNJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22O/c1-4-7-9-12(10-8-5-2)11(6-3)13-12/h6,11H,3-5,7-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (3R)-2,2-dibutyl-3-ethenyloxirane?
(3R)-2,2-dibutyl-3-ethenyloxirane has a molecular weight of 182.31 g/mol, XLogP of 3.69, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2-dibutyl-3-ethenyloxirane is sourced from PubChem (CID 154719468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).