1-octylcyclohexan-1-ol;oxirane

C16H32O2 — CID 18459388

IUPAC1-octylcyclohexan-1-ol;oxirane
SMILESC1CO1.CCCCCCCCC1(O)CCCCC1
InChIInChI=1S/C14H28O.C2H4O/c1-2-3-4-5-6-8-11-14(15)12-9-7-10-13-14;1-2-3-1/h15H,2-13H2,1H3;1-2H2
InChIKeyOTGFXUAYHZKMFA-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.45
Rot. Bonds7

About 1-octylcyclohexan-1-ol;oxirane

1-octylcyclohexan-1-ol;oxirane (PubChem CID 18459388) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-octylcyclohexan-1-ol;oxirane.

Molecular Properties

Compound Name1-octylcyclohexan-1-ol;oxirane
PubChem CID18459388
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name1-octylcyclohexan-1-ol;oxirane
SMILESC1CO1.CCCCCCCCC1(O)CCCCC1
InChIInChI=1S/C14H28O.C2H4O/c1-2-3-4-5-6-8-11-14(15)12-9-7-10-13-14;1-2-3-1/h15H,2-13H2,1H3;1-2H2
InChIKeyOTGFXUAYHZKMFA-UHFFFAOYSA-N
XLogP4.45
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-octylcyclohexan-1-ol;oxirane?
The IUPAC name of 1-octylcyclohexan-1-ol;oxirane (CID 18459388) is 1-octylcyclohexan-1-ol;oxirane.
What is the SMILES notation for 1-octylcyclohexan-1-ol;oxirane?
The canonical SMILES for 1-octylcyclohexan-1-ol;oxirane is C1CO1.CCCCCCCCC1(O)CCCCC1.
What is the InChIKey of 1-octylcyclohexan-1-ol;oxirane?
The InChIKey is OTGFXUAYHZKMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O.C2H4O/c1-2-3-4-5-6-8-11-14(15)12-9-7-10-13-14;1-2-3-1/h15H,2-13H2,1H3;1-2H2.
What are the key properties of 1-octylcyclohexan-1-ol;oxirane?
1-octylcyclohexan-1-ol;oxirane has a molecular weight of 256.43 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octylcyclohexan-1-ol;oxirane is sourced from PubChem (CID 18459388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).