2-ethylhexylidenecyclopentane

C13H24 — CID 173229264

IUPAC2-ethylhexylidenecyclopentane
SMILESCCCCC(C=C1CCCC1)CC
InChIInChI=1S/C13H24/c1-3-5-8-12(4-2)11-13-9-6-7-10-13/h11-12H,3-10H2,1-2H3
InChIKeyBEBYYFZQQISKQN-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.70
Rot. Bonds5

About 2-ethylhexylidenecyclopentane

2-ethylhexylidenecyclopentane (PubChem CID 173229264) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2-ethylhexylidenecyclopentane.

Molecular Properties

Compound Name2-ethylhexylidenecyclopentane
PubChem CID173229264
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2-ethylhexylidenecyclopentane
SMILESCCCCC(C=C1CCCC1)CC
InChIInChI=1S/C13H24/c1-3-5-8-12(4-2)11-13-9-6-7-10-13/h11-12H,3-10H2,1-2H3
InChIKeyBEBYYFZQQISKQN-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethylhexylidene)pyrrolidine
CID 115824737
2-(cyclopentylidenemethyl)butan-1-amine
CID 142061121
1-cyclopentylidenebutan-2-amine
CID 140674435
3-ethylhept-1-ene
CID 12923943
2-ethylhexanal;methane
CID 139299505
2-ethylhexanal;tantalum
CID 87424385
2-ethylhexanal;phosphane
CID 174518467
5-(2-ethylhexylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 4308984
5-ethylnon-3-ene
CID 91177059
pentylidenecyclopentadecane
CID 151655236
1,1-dibromo-3-ethylhept-1-ene
CID 86711721
(NE)-N-(2-ethylhexylidene)hydroxylamine
CID 11252077

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexylidenecyclopentane?
The IUPAC name of 2-ethylhexylidenecyclopentane (CID 173229264) is 2-ethylhexylidenecyclopentane.
What is the SMILES notation for 2-ethylhexylidenecyclopentane?
The canonical SMILES for 2-ethylhexylidenecyclopentane is CCCCC(C=C1CCCC1)CC.
What is the InChIKey of 2-ethylhexylidenecyclopentane?
The InChIKey is BEBYYFZQQISKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-3-5-8-12(4-2)11-13-9-6-7-10-13/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-ethylhexylidenecyclopentane?
2-ethylhexylidenecyclopentane has a molecular weight of 180.33 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexylidenecyclopentane is sourced from PubChem (CID 173229264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).