2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane

C19H28O2 — CID 67980435

IUPAC2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
SMILESCCC1CCC(CCc2ccc(C3OCCO3)cc2)CC1
InChIInChI=1S/C19H28O2/c1-2-15-3-5-16(6-4-15)7-8-17-9-11-18(12-10-17)19-20-13-14-21-19/h9-12,15-16,19H,2-8,13-14H2,1H3
InChIKeyQMYDWJBPFVHIKN-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.88
Rot. Bonds5

About 2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane

2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane (PubChem CID 67980435) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
PubChem CID67980435
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
SMILESCCC1CCC(CCc2ccc(C3OCCO3)cc2)CC1
InChIInChI=1S/C19H28O2/c1-2-15-3-5-16(6-4-15)7-8-17-9-11-18(12-10-17)19-20-13-14-21-19/h9-12,15-16,19H,2-8,13-14H2,1H3
InChIKeyQMYDWJBPFVHIKN-UHFFFAOYSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
CID 67980841
2-[4-(2-cyclohexylethyl)phenyl]-1,3-dioxolane
CID 67980476
1-(4-ethylcyclohexyl)-4-[2-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]ethyl]benzene
CID 54218031
5-ethyl-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]oxane
CID 58620567
2-[4-(1,3-dioxolan-2-yl)phenyl]ethanamine
CID 54217191
2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
CID 70410242
1-[2-(4-ethylcyclohexyl)ethyl]-4-[3-(4-ethylcyclohexyl)propoxy]benzene
CID 19739072
5-(4-propylcyclohexyl)-2-[4-(4-propylphenyl)phenyl]-1,3-dioxane
CID 70408940
4-[4-[2-[4-(tert-butylsulfonylmethyl)cyclohexyl]ethyl]phenyl]oxane
CID 158591011
4-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2-difluorobenzene
CID 14993447
1-[2-(4-ethylcyclohexyl)ethyl]-4-[4-[2-(4-pentylphenyl)ethyl]cyclohex-2-en-1-yl]benzene
CID 123661068
5-propyl-2-[4-[4-(4-propylcyclohexyl)but-3-enyl]phenyl]-1,3-dioxane
CID 56627238

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
The IUPAC name of 2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane (CID 67980435) is 2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
The canonical SMILES for 2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane is CCC1CCC(CCc2ccc(C3OCCO3)cc2)CC1.
What is the InChIKey of 2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
The InChIKey is QMYDWJBPFVHIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-2-15-3-5-16(6-4-15)7-8-17-9-11-18(12-10-17)19-20-13-14-21-19/h9-12,15-16,19H,2-8,13-14H2,1H3.
What are the key properties of 2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane?
2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane has a molecular weight of 288.43 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,3-dioxolane is sourced from PubChem (CID 67980435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).