dihexoxymethylcyclohexane

C19H38O2 — CID 14710416

IUPACdihexoxymethylcyclohexane
SMILESCCCCCCOC(OCCCCCC)C1CCCCC1
InChIInChI=1S/C19H38O2/c1-3-5-7-12-16-20-19(18-14-10-9-11-15-18)21-17-13-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyIOQQDEWIZMUZFG-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.09
Rot. Bonds13

About dihexoxymethylcyclohexane

dihexoxymethylcyclohexane (PubChem CID 14710416) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is dihexoxymethylcyclohexane.

Molecular Properties

Compound Namedihexoxymethylcyclohexane
PubChem CID14710416
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Namedihexoxymethylcyclohexane
SMILESCCCCCCOC(OCCCCCC)C1CCCCC1
InChIInChI=1S/C19H38O2/c1-3-5-7-12-16-20-19(18-14-10-9-11-15-18)21-17-13-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyIOQQDEWIZMUZFG-UHFFFAOYSA-N
XLogP6.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dihexoxymethylcyclohexane?
The IUPAC name of dihexoxymethylcyclohexane (CID 14710416) is dihexoxymethylcyclohexane.
What is the SMILES notation for dihexoxymethylcyclohexane?
The canonical SMILES for dihexoxymethylcyclohexane is CCCCCCOC(OCCCCCC)C1CCCCC1.
What is the InChIKey of dihexoxymethylcyclohexane?
The InChIKey is IOQQDEWIZMUZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-3-5-7-12-16-20-19(18-14-10-9-11-15-18)21-17-13-8-6-4-2/h18-19H,3-17H2,1-2H3.
What are the key properties of dihexoxymethylcyclohexane?
dihexoxymethylcyclohexane has a molecular weight of 298.51 g/mol, XLogP of 6.09, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihexoxymethylcyclohexane is sourced from PubChem (CID 14710416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).