butylcyclohexane;oxirane

C12H24O — CID 174743556

IUPACbutylcyclohexane;oxirane
SMILESC1CO1.CCCCC1CCCCC1
InChIInChI=1S/C10H20.C2H4O/c1-2-3-7-10-8-5-4-6-9-10;1-2-3-1/h10H,2-9H2,1H3;1-2H2
InChIKeyHPZURFQUMLWWHL-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.77
Rot. Bonds3

About butylcyclohexane;oxirane

butylcyclohexane;oxirane (PubChem CID 174743556) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is butylcyclohexane;oxirane.

Molecular Properties

Compound Namebutylcyclohexane;oxirane
PubChem CID174743556
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Namebutylcyclohexane;oxirane
SMILESC1CO1.CCCCC1CCCCC1
InChIInChI=1S/C10H20.C2H4O/c1-2-3-7-10-8-5-4-6-9-10;1-2-3-1/h10H,2-9H2,1H3;1-2H2
InChIKeyHPZURFQUMLWWHL-UHFFFAOYSA-N
XLogP3.77
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butylcyclohexane;oxirane?
The IUPAC name of butylcyclohexane;oxirane (CID 174743556) is butylcyclohexane;oxirane.
What is the SMILES notation for butylcyclohexane;oxirane?
The canonical SMILES for butylcyclohexane;oxirane is C1CO1.CCCCC1CCCCC1.
What is the InChIKey of butylcyclohexane;oxirane?
The InChIKey is HPZURFQUMLWWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.C2H4O/c1-2-3-7-10-8-5-4-6-9-10;1-2-3-1/h10H,2-9H2,1H3;1-2H2.
What are the key properties of butylcyclohexane;oxirane?
butylcyclohexane;oxirane has a molecular weight of 184.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butylcyclohexane;oxirane is sourced from PubChem (CID 174743556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).