(3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane

C13H24 — CID 153317964

IUPAC(3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane
SMILESCC1CC(C)(C)C/C1=C\C(C)(C)C
InChIInChI=1S/C13H24/c1-10-7-13(5,6)9-11(10)8-12(2,3)4/h8,10H,7,9H2,1-6H3/b11-8+
InChIKeyWGLLGAKBXSNTAG-DHZHZOJOSA-N
MW180.33 g/mol
LogP4.41
Rot. Bonds

About (3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane

(3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane (PubChem CID 153317964) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is (3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane.

Molecular Properties

Compound Name(3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane
PubChem CID153317964
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name(3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane
SMILESCC1CC(C)(C)C/C1=C\C(C)(C)C
InChIInChI=1S/C13H24/c1-10-7-13(5,6)9-11(10)8-12(2,3)4/h8,10H,7,9H2,1-6H3/b11-8+
InChIKeyWGLLGAKBXSNTAG-DHZHZOJOSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane?
The IUPAC name of (3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane (CID 153317964) is (3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane.
What is the SMILES notation for (3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane?
The canonical SMILES for (3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane is CC1CC(C)(C)C/C1=C\C(C)(C)C.
What is the InChIKey of (3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane?
The InChIKey is WGLLGAKBXSNTAG-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H24/c1-10-7-13(5,6)9-11(10)8-12(2,3)4/h8,10H,7,9H2,1-6H3/b11-8+.
What are the key properties of (3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane?
(3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane has a molecular weight of 180.33 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2,2-dimethylpropylidene)-1,1,4-trimethylcyclopentane is sourced from PubChem (CID 153317964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).