1-(3-ethylcyclobutyl)-1,3,3-trimethylcyclopentane

C14H26 — CID 91616994

IUPAC1-(3-ethylcyclobutyl)-1,3,3-trimethylcyclopentane
SMILESCCC1CC(C2(C)CCC(C)(C)C2)C1
InChIInChI=1S/C14H26/c1-5-11-8-12(9-11)14(4)7-6-13(2,3)10-14/h11-12H,5-10H2,1-4H3
InChIKeyBVCTWDCTDBTSRE-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.64
Rot. Bonds2

About 1-(3-ethylcyclobutyl)-1,3,3-trimethylcyclopentane

1-(3-ethylcyclobutyl)-1,3,3-trimethylcyclopentane (PubChem CID 91616994) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-(3-ethylcyclobutyl)-1,3,3-trimethylcyclopentane.

Molecular Properties

Compound Name1-(3-ethylcyclobutyl)-1,3,3-trimethylcyclopentane
PubChem CID91616994
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-(3-ethylcyclobutyl)-1,3,3-trimethylcyclopentane
SMILESCCC1CC(C2(C)CCC(C)(C)C2)C1
InChIInChI=1S/C14H26/c1-5-11-8-12(9-11)14(4)7-6-13(2,3)10-14/h11-12H,5-10H2,1-4H3
InChIKeyBVCTWDCTDBTSRE-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylcyclobutyl)-1,3,3-trimethylcyclopentane?
The IUPAC name of 1-(3-ethylcyclobutyl)-1,3,3-trimethylcyclopentane (CID 91616994) is 1-(3-ethylcyclobutyl)-1,3,3-trimethylcyclopentane.
What is the SMILES notation for 1-(3-ethylcyclobutyl)-1,3,3-trimethylcyclopentane?
The canonical SMILES for 1-(3-ethylcyclobutyl)-1,3,3-trimethylcyclopentane is CCC1CC(C2(C)CCC(C)(C)C2)C1.
What is the InChIKey of 1-(3-ethylcyclobutyl)-1,3,3-trimethylcyclopentane?
The InChIKey is BVCTWDCTDBTSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-5-11-8-12(9-11)14(4)7-6-13(2,3)10-14/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(3-ethylcyclobutyl)-1,3,3-trimethylcyclopentane?
1-(3-ethylcyclobutyl)-1,3,3-trimethylcyclopentane has a molecular weight of 194.36 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylcyclobutyl)-1,3,3-trimethylcyclopentane is sourced from PubChem (CID 91616994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).