hexoxycyclohexane

C12H24O — CID 19693431

IUPAChexoxycyclohexane
SMILESCCCCCCOC1CCCCC1
InChIInChI=1S/C12H24O/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h12H,2-11H2,1H3
InChIKeyHWAZMCKQMLPOIN-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.92
Rot. Bonds6

About hexoxycyclohexane

hexoxycyclohexane (PubChem CID 19693431) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is hexoxycyclohexane.

Molecular Properties

Compound Namehexoxycyclohexane
PubChem CID19693431
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Namehexoxycyclohexane
SMILESCCCCCCOC1CCCCC1
InChIInChI=1S/C12H24O/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h12H,2-11H2,1H3
InChIKeyHWAZMCKQMLPOIN-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexoxycyclohexane?
The IUPAC name of hexoxycyclohexane (CID 19693431) is hexoxycyclohexane.
What is the SMILES notation for hexoxycyclohexane?
The canonical SMILES for hexoxycyclohexane is CCCCCCOC1CCCCC1.
What is the InChIKey of hexoxycyclohexane?
The InChIKey is HWAZMCKQMLPOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-2-3-4-8-11-13-12-9-6-5-7-10-12/h12H,2-11H2,1H3.
What are the key properties of hexoxycyclohexane?
hexoxycyclohexane has a molecular weight of 184.32 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexoxycyclohexane is sourced from PubChem (CID 19693431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).