(4,4-diethoxycyclohexyl)benzene

C16H24O2 — CID 11043106

IUPAC(4,4-diethoxycyclohexyl)benzene
SMILESCCOC1(OCC)CCC(c2ccccc2)CC1
InChIInChI=1S/C16H24O2/c1-3-17-16(18-4-2)12-10-15(11-13-16)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyTTYYBODHESXUQP-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.11
Rot. Bonds5

About (4,4-diethoxycyclohexyl)benzene

(4,4-diethoxycyclohexyl)benzene (PubChem CID 11043106) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (4,4-diethoxycyclohexyl)benzene.

Molecular Properties

Compound Name(4,4-diethoxycyclohexyl)benzene
PubChem CID11043106
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(4,4-diethoxycyclohexyl)benzene
SMILESCCOC1(OCC)CCC(c2ccccc2)CC1
InChIInChI=1S/C16H24O2/c1-3-17-16(18-4-2)12-10-15(11-13-16)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyTTYYBODHESXUQP-UHFFFAOYSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.11
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-diethoxycyclohexyl)benzene?
The IUPAC name of (4,4-diethoxycyclohexyl)benzene (CID 11043106) is (4,4-diethoxycyclohexyl)benzene.
What is the SMILES notation for (4,4-diethoxycyclohexyl)benzene?
The canonical SMILES for (4,4-diethoxycyclohexyl)benzene is CCOC1(OCC)CCC(c2ccccc2)CC1.
What is the InChIKey of (4,4-diethoxycyclohexyl)benzene?
The InChIKey is TTYYBODHESXUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-17-16(18-4-2)12-10-15(11-13-16)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3.
What are the key properties of (4,4-diethoxycyclohexyl)benzene?
(4,4-diethoxycyclohexyl)benzene has a molecular weight of 248.37 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-diethoxycyclohexyl)benzene is sourced from PubChem (CID 11043106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).