1,2,3,5-tetramethylcyclohexene

C10H18 — CID 12751060

IUPAC1,2,3,5-tetramethylcyclohexene
SMILESCC1=C(C)C(C)CC(C)C1
InChIInChI=1S/C10H18/c1-7-5-8(2)10(4)9(3)6-7/h7-8H,5-6H2,1-4H3
InChIKeySROFJVCWSBDWFB-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds

About 1,2,3,5-tetramethylcyclohexene

1,2,3,5-tetramethylcyclohexene (PubChem CID 12751060) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,2,3,5-tetramethylcyclohexene.

Molecular Properties

Compound Name1,2,3,5-tetramethylcyclohexene
PubChem CID12751060
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,2,3,5-tetramethylcyclohexene
SMILESCC1=C(C)C(C)CC(C)C1
InChIInChI=1S/C10H18/c1-7-5-8(2)10(4)9(3)6-7/h7-8H,5-6H2,1-4H3
InChIKeySROFJVCWSBDWFB-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
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

5-butan-2-yl-1,2,3-trimethylcyclohexene
CID 58856701
2,7,9,10-tetramethyl-2,3,6,7,8,10a-hexahydro-1H-pyrido[1,2-a]azepin-4-one
CID 91167732
1,4-dimethyl-2-methylidenecyclopentane;ethane
CID 144973768
5-ethyl-1,2,3,5,8-pentamethylcyclononene
CID 123991968
3,7-dimethylbicyclo[3.2.0]hept-1(7)-ene
CID 149129589
6-(hydroxymethyl)-2,4-dimethylcyclohexen-1-ol
CID 145284011
1,2,3,4,5-pentamethylcyclohexa-1,3-diene
CID 14737646
2,3,6,6-tetramethylbicyclo[3.1.1]hept-1-ene
CID 142697748
2,4,5,8-tetramethyl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335539
(3R,4R)-1,2,3,4-tetramethylcyclobutene
CID 15050868
1,2,3,4-tetramethylcyclobutene
CID 565395
(3,5-dimethylcyclohexylidene)oxidanium
CID 140563406

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethylcyclohexene?
The IUPAC name of 1,2,3,5-tetramethylcyclohexene (CID 12751060) is 1,2,3,5-tetramethylcyclohexene.
What is the SMILES notation for 1,2,3,5-tetramethylcyclohexene?
The canonical SMILES for 1,2,3,5-tetramethylcyclohexene is CC1=C(C)C(C)CC(C)C1.
What is the InChIKey of 1,2,3,5-tetramethylcyclohexene?
The InChIKey is SROFJVCWSBDWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-7-5-8(2)10(4)9(3)6-7/h7-8H,5-6H2,1-4H3.
What are the key properties of 1,2,3,5-tetramethylcyclohexene?
1,2,3,5-tetramethylcyclohexene has a molecular weight of 138.25 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethylcyclohexene is sourced from PubChem (CID 12751060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).