1,6-dimethyl-4-(2-methyl-4-propan-2-ylcyclopentyl)cyclohexene

C17H30 — CID 91536176

IUPAC1,6-dimethyl-4-(2-methyl-4-propan-2-ylcyclopentyl)cyclohexene
SMILESCC1=CCC(C2CC(C(C)C)CC2C)CC1C
InChIInChI=1S/C17H30/c1-11(2)16-9-14(5)17(10-16)15-7-6-12(3)13(4)8-15/h6,11,13-17H,7-10H2,1-5H3
InChIKeyLDFBXVBAUBBDQQ-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.30
Rot. Bonds2

About 1,6-dimethyl-4-(2-methyl-4-propan-2-ylcyclopentyl)cyclohexene

1,6-dimethyl-4-(2-methyl-4-propan-2-ylcyclopentyl)cyclohexene (PubChem CID 91536176) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 1,6-dimethyl-4-(2-methyl-4-propan-2-ylcyclopentyl)cyclohexene.

Molecular Properties

Compound Name1,6-dimethyl-4-(2-methyl-4-propan-2-ylcyclopentyl)cyclohexene
PubChem CID91536176
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name1,6-dimethyl-4-(2-methyl-4-propan-2-ylcyclopentyl)cyclohexene
SMILESCC1=CCC(C2CC(C(C)C)CC2C)CC1C
InChIInChI=1S/C17H30/c1-11(2)16-9-14(5)17(10-16)15-7-6-12(3)13(4)8-15/h6,11,13-17H,7-10H2,1-5H3
InChIKeyLDFBXVBAUBBDQQ-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.30
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

4-chloro-1,6-dimethylcyclohexene
CID 143462672
4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane
CID 156686010
1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane
CID 90791175
1,3-dimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 153382401
1-[(1S,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]ethanone
CID 92950860
1-[(1R,5R)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]ethanone
CID 98101226
4-propan-2-ylcyclopentane-1,2-diol
CID 20608687
4-propan-2-yltricyclo[5.2.1.02,6]decan-8-ol
CID 20697986
2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 144769271
1,4,7-trimethylcycloheptene
CID 123852722
(3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene
CID 162906895
1-(2-methyl-5-propan-2-ylcyclohex-2-en-1-yl)propan-2-one
CID 21260239

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-(2-methyl-4-propan-2-ylcyclopentyl)cyclohexene?
The IUPAC name of 1,6-dimethyl-4-(2-methyl-4-propan-2-ylcyclopentyl)cyclohexene (CID 91536176) is 1,6-dimethyl-4-(2-methyl-4-propan-2-ylcyclopentyl)cyclohexene.
What is the SMILES notation for 1,6-dimethyl-4-(2-methyl-4-propan-2-ylcyclopentyl)cyclohexene?
The canonical SMILES for 1,6-dimethyl-4-(2-methyl-4-propan-2-ylcyclopentyl)cyclohexene is CC1=CCC(C2CC(C(C)C)CC2C)CC1C.
What is the InChIKey of 1,6-dimethyl-4-(2-methyl-4-propan-2-ylcyclopentyl)cyclohexene?
The InChIKey is LDFBXVBAUBBDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-11(2)16-9-14(5)17(10-16)15-7-6-12(3)13(4)8-15/h6,11,13-17H,7-10H2,1-5H3.
What are the key properties of 1,6-dimethyl-4-(2-methyl-4-propan-2-ylcyclopentyl)cyclohexene?
1,6-dimethyl-4-(2-methyl-4-propan-2-ylcyclopentyl)cyclohexene has a molecular weight of 234.43 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-(2-methyl-4-propan-2-ylcyclopentyl)cyclohexene is sourced from PubChem (CID 91536176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).