(4,4-dimethoxycyclohexyl)benzene

C14H20O2 — CID 10867809

IUPAC(4,4-dimethoxycyclohexyl)benzene
SMILESCOC1(OC)CCC(c2ccccc2)CC1
InChIInChI=1S/C14H20O2/c1-15-14(16-2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyVAKCWEWWYQCSJI-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.33
Rot. Bonds3

About (4,4-dimethoxycyclohexyl)benzene

(4,4-dimethoxycyclohexyl)benzene (PubChem CID 10867809) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (4,4-dimethoxycyclohexyl)benzene.

Molecular Properties

Compound Name(4,4-dimethoxycyclohexyl)benzene
PubChem CID10867809
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(4,4-dimethoxycyclohexyl)benzene
SMILESCOC1(OC)CCC(c2ccccc2)CC1
InChIInChI=1S/C14H20O2/c1-15-14(16-2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3
InChIKeyVAKCWEWWYQCSJI-UHFFFAOYSA-N
XLogP3.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethoxycyclohexyl)benzene?
The IUPAC name of (4,4-dimethoxycyclohexyl)benzene (CID 10867809) is (4,4-dimethoxycyclohexyl)benzene.
What is the SMILES notation for (4,4-dimethoxycyclohexyl)benzene?
The canonical SMILES for (4,4-dimethoxycyclohexyl)benzene is COC1(OC)CCC(c2ccccc2)CC1.
What is the InChIKey of (4,4-dimethoxycyclohexyl)benzene?
The InChIKey is VAKCWEWWYQCSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-15-14(16-2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3.
What are the key properties of (4,4-dimethoxycyclohexyl)benzene?
(4,4-dimethoxycyclohexyl)benzene has a molecular weight of 220.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethoxycyclohexyl)benzene is sourced from PubChem (CID 10867809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).