1-nonylcyclohexan-1-ol;oxirane

C17H34O2 — CID 18459385

IUPAC1-nonylcyclohexan-1-ol;oxirane
SMILESC1CO1.CCCCCCCCCC1(O)CCCCC1
InChIInChI=1S/C15H30O.C2H4O/c1-2-3-4-5-6-7-9-12-15(16)13-10-8-11-14-15;1-2-3-1/h16H,2-14H2,1H3;1-2H2
InChIKeyBYNLZOCKAFLVEG-UHFFFAOYSA-N
MW270.46 g/mol
LogP4.84
Rot. Bonds8

About 1-nonylcyclohexan-1-ol;oxirane

1-nonylcyclohexan-1-ol;oxirane (PubChem CID 18459385) has the molecular formula C17H34O2 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-nonylcyclohexan-1-ol;oxirane.

Molecular Properties

Compound Name1-nonylcyclohexan-1-ol;oxirane
PubChem CID18459385
Molecular FormulaC17H34O2
Molecular Weight270.46 g/mol
Exact Mass270.26
IUPAC Name1-nonylcyclohexan-1-ol;oxirane
SMILESC1CO1.CCCCCCCCCC1(O)CCCCC1
InChIInChI=1S/C15H30O.C2H4O/c1-2-3-4-5-6-7-9-12-15(16)13-10-8-11-14-15;1-2-3-1/h16H,2-14H2,1H3;1-2H2
InChIKeyBYNLZOCKAFLVEG-UHFFFAOYSA-N
XLogP4.84
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 54.84
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-nonylcyclohexan-1-ol;oxirane?
The IUPAC name of 1-nonylcyclohexan-1-ol;oxirane (CID 18459385) is 1-nonylcyclohexan-1-ol;oxirane.
What is the SMILES notation for 1-nonylcyclohexan-1-ol;oxirane?
The canonical SMILES for 1-nonylcyclohexan-1-ol;oxirane is C1CO1.CCCCCCCCCC1(O)CCCCC1.
What is the InChIKey of 1-nonylcyclohexan-1-ol;oxirane?
The InChIKey is BYNLZOCKAFLVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O.C2H4O/c1-2-3-4-5-6-7-9-12-15(16)13-10-8-11-14-15;1-2-3-1/h16H,2-14H2,1H3;1-2H2.
What are the key properties of 1-nonylcyclohexan-1-ol;oxirane?
1-nonylcyclohexan-1-ol;oxirane has a molecular weight of 270.46 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonylcyclohexan-1-ol;oxirane is sourced from PubChem (CID 18459385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).