(2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane

C16H24O2 — CID 102021945

IUPAC(2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane
SMILESCCCC[C@@]1(CCCOCc2ccccc2)CO1
InChIInChI=1S/C16H24O2/c1-2-3-10-16(14-18-16)11-7-12-17-13-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3/t16-/m1/s1
InChIKeyKMMAQPRHRKJFLV-MRXNPFEDSA-N
MW248.37 g/mol
LogP3.94
Rot. Bonds9

About (2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane

(2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane (PubChem CID 102021945) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane.

Molecular Properties

Compound Name(2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane
PubChem CID102021945
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane
SMILESCCCC[C@@]1(CCCOCc2ccccc2)CO1
InChIInChI=1S/C16H24O2/c1-2-3-10-16(14-18-16)11-7-12-17-13-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3/t16-/m1/s1
InChIKeyKMMAQPRHRKJFLV-MRXNPFEDSA-N
XLogP3.94
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.94
H-Bond Donors ≤ 50
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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Related Compounds

(2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane
CID 15293543
butoxymethylbenzene;ethane
CID 145341806
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CID 175482454
acetic acid;butoxymethylbenzene
CID 139463153
azane;hexoxymethylbenzene
CID 174805489
2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
butoxymethylbenzene;phenylmethanamine
CID 142079106
formaldehyde;octoxymethylbenzene;tungsten
CID 173433681
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554

Frequently Asked Questions

What is the IUPAC name of (2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane?
The IUPAC name of (2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane (CID 102021945) is (2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane.
What is the SMILES notation for (2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane?
The canonical SMILES for (2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane is CCCC[C@@]1(CCCOCc2ccccc2)CO1.
What is the InChIKey of (2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane?
The InChIKey is KMMAQPRHRKJFLV-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-10-16(14-18-16)11-7-12-17-13-15-8-5-4-6-9-15/h4-6,8-9H,2-3,7,10-14H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane?
(2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane has a molecular weight of 248.37 g/mol, XLogP of 3.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butyl-2-(3-phenylmethoxypropyl)oxirane is sourced from PubChem (CID 102021945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).