3,3,4,4,5-pentamethylcyclohexene

C11H20 — CID 123783117

IUPAC3,3,4,4,5-pentamethylcyclohexene
SMILESCC1CC=CC(C)(C)C1(C)C
InChIInChI=1S/C11H20/c1-9-7-6-8-10(2,3)11(9,4)5/h6,8-9H,7H2,1-5H3
InChIKeyYALPPGRXJDAGPA-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.63
Rot. Bonds

About 3,3,4,4,5-pentamethylcyclohexene

3,3,4,4,5-pentamethylcyclohexene (PubChem CID 123783117) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 3,3,4,4,5-pentamethylcyclohexene.

Molecular Properties

Compound Name3,3,4,4,5-pentamethylcyclohexene
PubChem CID123783117
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name3,3,4,4,5-pentamethylcyclohexene
SMILESCC1CC=CC(C)(C)C1(C)C
InChIInChI=1S/C11H20/c1-9-7-6-8-10(2,3)11(9,4)5/h6,8-9H,7H2,1-5H3
InChIKeyYALPPGRXJDAGPA-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.63
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

(4S)-3,3,4-trimethylcyclopentene
CID 148718226
(5S)-4,4,5-trimethylcyclohexene
CID 123287242
3,3,6-trimethyl(1,2-13C2)cycloheptene
CID 101032290
1,4,5,5,6,6-hexamethyl-3,4-dihydropyridin-1-ium fluoride
CID 122553753
1,5,9-trimethylspiro[5.5]undeca-3,9-dien-5-ol
CID 135017310
4,5-dimethyl-4-nitrocyclohexene
CID 163844382
5-[amino(methyl)amino]-5,6-dimethylcyclohept-3-en-1-ol
CID 163620007
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
(3R,5S)-4,4,5,8-tetramethyl-1-oxaspiro[2.5]oct-7-ene
CID 57201556
2,6-dimethyl-8-prop-1-en-2-yl-7-oxatricyclo[6.2.1.01,6]undec-4-ene
CID 527194
1,2,2,3,4,6-hexamethylbicyclo[2.2.0]hexane
CID 91324406
3,3,4,4,5,5-hexamethylcyclohexene
CID 91373510

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5-pentamethylcyclohexene?
The IUPAC name of 3,3,4,4,5-pentamethylcyclohexene (CID 123783117) is 3,3,4,4,5-pentamethylcyclohexene.
What is the SMILES notation for 3,3,4,4,5-pentamethylcyclohexene?
The canonical SMILES for 3,3,4,4,5-pentamethylcyclohexene is CC1CC=CC(C)(C)C1(C)C.
What is the InChIKey of 3,3,4,4,5-pentamethylcyclohexene?
The InChIKey is YALPPGRXJDAGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-9-7-6-8-10(2,3)11(9,4)5/h6,8-9H,7H2,1-5H3.
What are the key properties of 3,3,4,4,5-pentamethylcyclohexene?
3,3,4,4,5-pentamethylcyclohexene has a molecular weight of 152.28 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5-pentamethylcyclohexene is sourced from PubChem (CID 123783117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).