4-[2-ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane

C21H38O2 — CID 21339165

IUPAC4-[2-ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane
SMILESCCC1CCC(CCC2CC(CC)C(C3COC(C)(C)O3)C2)C1
InChIInChI=1S/C21H38O2/c1-5-15-7-8-16(11-15)9-10-17-12-18(6-2)19(13-17)20-14-22-21(3,4)23-20/h15-20H,5-14H2,1-4H3
InChIKeyNZTSVMPPTMFXCN-UHFFFAOYSA-N
MW322.53 g/mol
LogP5.80
Rot. Bonds6

About 4-[2-ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane

4-[2-ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 21339165) has the molecular formula C21H38O2 and a molecular weight of 322.53 g/mol. Its IUPAC name is 4-[2-ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[2-ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID21339165
Molecular FormulaC21H38O2
Molecular Weight322.53 g/mol
Exact Mass322.29
IUPAC Name4-[2-ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane
SMILESCCC1CCC(CCC2CC(CC)C(C3COC(C)(C)O3)C2)C1
InChIInChI=1S/C21H38O2/c1-5-15-7-8-16(11-15)9-10-17-12-18(6-2)19(13-17)20-14-22-21(3,4)23-20/h15-20H,5-14H2,1-4H3
InChIKeyNZTSVMPPTMFXCN-UHFFFAOYSA-N
XLogP5.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.53
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[2-ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane (CID 21339165) is 4-[2-ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[2-ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[2-ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane is CCC1CCC(CCC2CC(CC)C(C3COC(C)(C)O3)C2)C1.
What is the InChIKey of 4-[2-ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is NZTSVMPPTMFXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O2/c1-5-15-7-8-16(11-15)9-10-17-12-18(6-2)19(13-17)20-14-22-21(3,4)23-20/h15-20H,5-14H2,1-4H3.
What are the key properties of 4-[2-ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane?
4-[2-ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 322.53 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-4-[2-(3-ethylcyclopentyl)ethyl]cyclopentyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 21339165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).