1,1-bis(5-methylhexoxy)cyclohexane

C20H40O2 — CID 69184307

IUPAC1,1-bis(5-methylhexoxy)cyclohexane
SMILESCC(C)CCCCOC1(OCCCCC(C)C)CCCCC1
InChIInChI=1S/C20H40O2/c1-18(2)12-6-10-16-21-20(14-8-5-9-15-20)22-17-11-7-13-19(3)4/h18-19H,5-17H2,1-4H3
InChIKeyWGDYOWSSIIIJEN-UHFFFAOYSA-N
MW312.54 g/mol
LogP6.33
Rot. Bonds12

About 1,1-bis(5-methylhexoxy)cyclohexane

1,1-bis(5-methylhexoxy)cyclohexane (PubChem CID 69184307) has the molecular formula C20H40O2 and a molecular weight of 312.54 g/mol. Its IUPAC name is 1,1-bis(5-methylhexoxy)cyclohexane.

Molecular Properties

Compound Name1,1-bis(5-methylhexoxy)cyclohexane
PubChem CID69184307
Molecular FormulaC20H40O2
Molecular Weight312.54 g/mol
Exact Mass312.30
IUPAC Name1,1-bis(5-methylhexoxy)cyclohexane
SMILESCC(C)CCCCOC1(OCCCCC(C)C)CCCCC1
InChIInChI=1S/C20H40O2/c1-18(2)12-6-10-16-21-20(14-8-5-9-15-20)22-17-11-7-13-19(3)4/h18-19H,5-17H2,1-4H3
InChIKeyWGDYOWSSIIIJEN-UHFFFAOYSA-N
XLogP6.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.33
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 1,1-bis(5-methylhexoxy)cyclohexane?
The IUPAC name of 1,1-bis(5-methylhexoxy)cyclohexane (CID 69184307) is 1,1-bis(5-methylhexoxy)cyclohexane.
What is the SMILES notation for 1,1-bis(5-methylhexoxy)cyclohexane?
The canonical SMILES for 1,1-bis(5-methylhexoxy)cyclohexane is CC(C)CCCCOC1(OCCCCC(C)C)CCCCC1.
What is the InChIKey of 1,1-bis(5-methylhexoxy)cyclohexane?
The InChIKey is WGDYOWSSIIIJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2/c1-18(2)12-6-10-16-21-20(14-8-5-9-15-20)22-17-11-7-13-19(3)4/h18-19H,5-17H2,1-4H3.
What are the key properties of 1,1-bis(5-methylhexoxy)cyclohexane?
1,1-bis(5-methylhexoxy)cyclohexane has a molecular weight of 312.54 g/mol, XLogP of 6.33, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(5-methylhexoxy)cyclohexane is sourced from PubChem (CID 69184307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).