1-dodecylcyclohexan-1-ol;oxirane

C20H40O2 — CID 18459395

IUPAC1-dodecylcyclohexan-1-ol;oxirane
SMILESC1CO1.CCCCCCCCCCCCC1(O)CCCCC1
InChIInChI=1S/C18H36O.C2H4O/c1-2-3-4-5-6-7-8-9-10-12-15-18(19)16-13-11-14-17-18;1-2-3-1/h19H,2-17H2,1H3;1-2H2
InChIKeyZDYHICMHBVQUGP-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.01
Rot. Bonds11

About 1-dodecylcyclohexan-1-ol;oxirane

1-dodecylcyclohexan-1-ol;oxirane (PubChem CID 18459395) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 1-dodecylcyclohexan-1-ol;oxirane.

Molecular Properties

Compound Name1-dodecylcyclohexan-1-ol;oxirane
PubChem CID18459395
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name1-dodecylcyclohexan-1-ol;oxirane
SMILESC1CO1.CCCCCCCCCCCCC1(O)CCCCC1
InChIInChI=1S/C18H36O.C2H4O/c1-2-3-4-5-6-7-8-9-10-12-15-18(19)16-13-11-14-17-18;1-2-3-1/h19H,2-17H2,1H3;1-2H2
InChIKeyZDYHICMHBVQUGP-UHFFFAOYSA-N
XLogP6.01
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.01
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-dodecylcyclohexan-1-ol;oxirane?
The IUPAC name of 1-dodecylcyclohexan-1-ol;oxirane (CID 18459395) is 1-dodecylcyclohexan-1-ol;oxirane.
What is the SMILES notation for 1-dodecylcyclohexan-1-ol;oxirane?
The canonical SMILES for 1-dodecylcyclohexan-1-ol;oxirane is C1CO1.CCCCCCCCCCCCC1(O)CCCCC1.
What is the InChIKey of 1-dodecylcyclohexan-1-ol;oxirane?
The InChIKey is ZDYHICMHBVQUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O.C2H4O/c1-2-3-4-5-6-7-8-9-10-12-15-18(19)16-13-11-14-17-18;1-2-3-1/h19H,2-17H2,1H3;1-2H2.
What are the key properties of 1-dodecylcyclohexan-1-ol;oxirane?
1-dodecylcyclohexan-1-ol;oxirane has a molecular weight of 312.54 g/mol, XLogP of 6.01, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecylcyclohexan-1-ol;oxirane is sourced from PubChem (CID 18459395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).