1,2,3,3-tetramethylcyclohexene

C10H18 — CID 11287951

IUPAC1,2,3,3-tetramethylcyclohexene
SMILESCC1=C(C)C(C)(C)CCC1
InChIInChI=1S/C10H18/c1-8-6-5-7-10(3,4)9(8)2/h5-7H2,1-4H3
InChIKeyAUCXIGOESXVILY-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds

About 1,2,3,3-tetramethylcyclohexene

1,2,3,3-tetramethylcyclohexene (PubChem CID 11287951) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1,2,3,3-tetramethylcyclohexene.

Molecular Properties

Compound Name1,2,3,3-tetramethylcyclohexene
PubChem CID11287951
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1,2,3,3-tetramethylcyclohexene
SMILESCC1=C(C)C(C)(C)CCC1
InChIInChI=1S/C10H18/c1-8-6-5-7-10(3,4)9(8)2/h5-7H2,1-4H3
InChIKeyAUCXIGOESXVILY-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
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

Cyclohexene, trimethyl-
CID 79032
(S)-beta-Macrocarpene
CID 49859620
Cyclohexene, 1-(1,1-dimethylethyl)-
CID 137926
1,3,3-Trimethylcyclohexene
CID 3013896
Isobazzanene
CID 14830703
Pseudowiddrene
CID 15409431
4,7(11)-Selinadiene
CID 23425324
1,2,4,4-Tetramethylcyclopentene
CID 144123
(-)-alpha-Chamigrene
CID 442351
Npc310951
CID 519725
1-Menthene
CID 25445
1H-Indene, 2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-
CID 118536

Frequently Asked Questions

What is the IUPAC name of 1,2,3,3-tetramethylcyclohexene?
The IUPAC name of 1,2,3,3-tetramethylcyclohexene (CID 11287951) is 1,2,3,3-tetramethylcyclohexene.
What is the SMILES notation for 1,2,3,3-tetramethylcyclohexene?
The canonical SMILES for 1,2,3,3-tetramethylcyclohexene is CC1=C(C)C(C)(C)CCC1.
What is the InChIKey of 1,2,3,3-tetramethylcyclohexene?
The InChIKey is AUCXIGOESXVILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-8-6-5-7-10(3,4)9(8)2/h5-7H2,1-4H3.
What are the key properties of 1,2,3,3-tetramethylcyclohexene?
1,2,3,3-tetramethylcyclohexene has a molecular weight of 138.25 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3-tetramethylcyclohexene is sourced from PubChem (CID 11287951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).