1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene

C13H24 — CID 59187215

IUPAC1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene
SMILESCC1=C(C(C)C)C(C)(C)CCC1C
InChIInChI=1S/C13H24/c1-9(2)12-11(4)10(3)7-8-13(12,5)6/h9-10H,7-8H2,1-6H3
InChIKeyQCWMJZRVMONMBN-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.41
Rot. Bonds1

About 1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene

1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene (PubChem CID 59187215) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene.

Molecular Properties

Compound Name1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene
PubChem CID59187215
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene
SMILESCC1=C(C(C)C)C(C)(C)CCC1C
InChIInChI=1S/C13H24/c1-9(2)12-11(4)10(3)7-8-13(12,5)6/h9-10H,7-8H2,1-6H3
InChIKeyQCWMJZRVMONMBN-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.41
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

1,1,3-trimethyl-2-methylidenecyclopentane
CID 102022448
1,2,3,6-tetramethylcyclohexene
CID 21243938
3-methyl-1-(2,3,6,6-tetramethylcyclohexen-1-yl)but-2-en-1-one
CID 23338026
ethane;1,3,3,6-tetramethyl-2-[(1E)-3-methylbuta-1,3-dienyl]cyclohexene
CID 142271959
9-methyl-3,10,11-tri(propan-2-yl)-3-azaspiro[5.5]undec-10-ene
CID 176830116
1-(2,3,8a-trimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl)ethanol
CID 129098102
3,6-dimethyl-6-propan-2-yloxan-2-one
CID 140976692
2,5-dimethyl-2-propan-2-ylcyclopentan-1-one
CID 12835446
2,3,4,4-tetramethylcyclohex-2-en-1-ol
CID 21015437
(1Z)-1,2,3,3,6-pentamethylcyclooctene
CID 142284308
6-methoxy-1,2,3,3-tetramethylcyclohexene
CID 11041115
3-(2,3-dimethylcyclopenten-1-yl)butanenitrile
CID 57454671

Frequently Asked Questions

What is the IUPAC name of 1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene?
The IUPAC name of 1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene (CID 59187215) is 1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene.
What is the SMILES notation for 1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene?
The canonical SMILES for 1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene is CC1=C(C(C)C)C(C)(C)CCC1C.
What is the InChIKey of 1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene?
The InChIKey is QCWMJZRVMONMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-9(2)12-11(4)10(3)7-8-13(12,5)6/h9-10H,7-8H2,1-6H3.
What are the key properties of 1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene?
1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene has a molecular weight of 180.33 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,6-tetramethyl-2-propan-2-ylcyclohexene is sourced from PubChem (CID 59187215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).