2-hexyl-2-propan-2-yloxirane

C11H22O — CID 170634762

IUPAC2-hexyl-2-propan-2-yloxirane
SMILESCCCCCCC1(C(C)C)CO1
InChIInChI=1S/C11H22O/c1-4-5-6-7-8-11(9-12-11)10(2)3/h10H,4-9H2,1-3H3
InChIKeyACRBDCLXHQZWDR-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds6

About 2-hexyl-2-propan-2-yloxirane

2-hexyl-2-propan-2-yloxirane (PubChem CID 170634762) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-hexyl-2-propan-2-yloxirane.

Molecular Properties

Compound Name2-hexyl-2-propan-2-yloxirane
PubChem CID170634762
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-hexyl-2-propan-2-yloxirane
SMILESCCCCCCC1(C(C)C)CO1
InChIInChI=1S/C11H22O/c1-4-5-6-7-8-11(9-12-11)10(2)3/h10H,4-9H2,1-3H3
InChIKeyACRBDCLXHQZWDR-UHFFFAOYSA-N
XLogP3.38
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.38
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

2-octyl-2-propan-2-yl-1,3-dioxolane
CID 89439846
2-decyl-2-propan-2-yl-1,3-dioxolane
CID 89439062
2-hexadecyl-2-tetradecyloxirane
CID 71421731
2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
2-octyloxiran-2-amine
CID 87096100
2-fluoro-2-hexyloxirane
CID 21452195
2-hexyl-2-propyloxirane
CID 139691135
2-methyl-2-pentyloxirane
CID 559073
1-(2-dodecylmorpholin-2-yl)ethanol;hydrobromide
CID 173370382
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-2-propan-2-yloxirane?
The IUPAC name of 2-hexyl-2-propan-2-yloxirane (CID 170634762) is 2-hexyl-2-propan-2-yloxirane.
What is the SMILES notation for 2-hexyl-2-propan-2-yloxirane?
The canonical SMILES for 2-hexyl-2-propan-2-yloxirane is CCCCCCC1(C(C)C)CO1.
What is the InChIKey of 2-hexyl-2-propan-2-yloxirane?
The InChIKey is ACRBDCLXHQZWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-4-5-6-7-8-11(9-12-11)10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of 2-hexyl-2-propan-2-yloxirane?
2-hexyl-2-propan-2-yloxirane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-2-propan-2-yloxirane is sourced from PubChem (CID 170634762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).