1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane

C13H22 — CID 90943443

IUPAC1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane
SMILESC=CC1(C)C(=C(C)C)CC(C)C1C
InChIInChI=1S/C13H22/c1-7-13(6)11(5)10(4)8-12(13)9(2)3/h7,10-11H,1,8H2,2-6H3
InChIKeyDOCBBNQTUZWZNH-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.19
Rot. Bonds1

About 1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane

1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane (PubChem CID 90943443) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane.

Molecular Properties

Compound Name1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane
PubChem CID90943443
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane
SMILESC=CC1(C)C(=C(C)C)CC(C)C1C
InChIInChI=1S/C13H22/c1-7-13(6)11(5)10(4)8-12(13)9(2)3/h7,10-11H,1,8H2,2-6H3
InChIKeyDOCBBNQTUZWZNH-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.19
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

1-ethyl-1,2-dimethyl-4-propan-2-ylidenecyclobutane
CID 91173457
2-ethenyl-3-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 130151825
1,2-bis(ethenyl)-3,3,5,6-tetramethylcyclohexene
CID 145159198
6-ethenyl-6-methyl-3-propan-2-yl-5-prop-1-en-2-ylcyclohex-3-en-1-ol
CID 162861479
cis-(2R,3S)-2-ethenyl-2-methyl-3-pentylcyclobutan-1-one
CID 134919205
4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol
CID 23263133
1-methyl-1-(1-methylcyclopropyl)-2-propan-2-ylidenecyclobutane
CID 123856469
(1S,2R,3R)-3-ethenyl-3-methylcyclohexane-1,2-diol
CID 155705531
4-ethenyl-2,4-dimethylcyclohexan-1-ol
CID 58534503
2-ethenyl-2,3-dimethylcyclohexan-1-ol
CID 14604704
(2S,5R)-3-ethenyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 67934131
(2R,3S,6S)-3-butyl-2-ethenyl-2,6-dimethylcyclohexan-1-one
CID 101171000

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane?
The IUPAC name of 1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane (CID 90943443) is 1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane.
What is the SMILES notation for 1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane?
The canonical SMILES for 1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane is C=CC1(C)C(=C(C)C)CC(C)C1C.
What is the InChIKey of 1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane?
The InChIKey is DOCBBNQTUZWZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-7-13(6)11(5)10(4)8-12(13)9(2)3/h7,10-11H,1,8H2,2-6H3.
What are the key properties of 1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane?
1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane has a molecular weight of 178.32 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1,2,3-trimethyl-5-propan-2-ylidenecyclopentane is sourced from PubChem (CID 90943443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).