2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane

C17H26O3 — CID 83958306

IUPAC2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane
SMILESCCCOc1ccc(C2(CC)OCCO2)cc1C(C)C
InChIInChI=1S/C17H26O3/c1-5-9-18-16-8-7-14(12-15(16)13(3)4)17(6-2)19-10-11-20-17/h7-8,12-13H,5-6,9-11H2,1-4H3
InChIKeyXNEVDGNFGOAPDW-UHFFFAOYSA-N
MW278.39 g/mol
LogP4.21
Rot. Bonds6

About 2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane

2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane (PubChem CID 83958306) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane
PubChem CID83958306
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane
SMILESCCCOc1ccc(C2(CC)OCCO2)cc1C(C)C
InChIInChI=1S/C17H26O3/c1-5-9-18-16-8-7-14(12-15(16)13(3)4)17(6-2)19-10-11-20-17/h7-8,12-13H,5-6,9-11H2,1-4H3
InChIKeyXNEVDGNFGOAPDW-UHFFFAOYSA-N
XLogP4.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(3-methoxy-4-propoxyphenyl)-1,3-dioxolane
CID 83958722
2-(5-chloro-2,4-dipropoxyphenyl)-2-ethyl-1,3-dioxolane
CID 83959353
2-[2-(3-propan-2-yl-4-propoxyphenyl)ethyl]propane-1,3-diol
CID 83935115
2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2-ethyl-1,3-dioxolane
CID 83958789
2-(5-bromo-2-propoxyphenyl)-2-propyl-1,3-dioxolane
CID 83958152
1-(3-propan-2-yl-4-propoxyphenyl)butan-2-amine
CID 170890539
4-pent-4-yn-2-yl-2-propan-2-yl-1-propoxybenzene
CID 83935094
2-chloro-1-(3-propan-2-yl-4-propoxyphenyl)propan-1-one
CID 82264024
2-[3-tert-butyl-4-(2-methylpropoxy)phenyl]-2-propyl-1,3-dioxolane
CID 83958252
2-[2-(3-propan-2-yl-4-propoxyphenyl)propyl]propane-1,3-diamine
CID 83935077
ethyl 2-oxo-2-(3-propan-2-yl-4-propoxyphenyl)acetate
CID 82554095
3-chloro-1-(3-propan-2-yl-4-propoxyphenyl)propan-1-one
CID 82264022

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane?
The IUPAC name of 2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane (CID 83958306) is 2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane?
The canonical SMILES for 2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane is CCCOc1ccc(C2(CC)OCCO2)cc1C(C)C.
What is the InChIKey of 2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane?
The InChIKey is XNEVDGNFGOAPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-5-9-18-16-8-7-14(12-15(16)13(3)4)17(6-2)19-10-11-20-17/h7-8,12-13H,5-6,9-11H2,1-4H3.
What are the key properties of 2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane?
2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane has a molecular weight of 278.39 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(3-propan-2-yl-4-propoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 83958306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).