1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C21H36 — CID 123269209

IUPAC1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC=C(C)C1CCC(C2CCC3C(CCC(C)C3C)C2)CC1
InChIInChI=1S/C21H36/c1-14(2)17-7-9-18(10-8-17)19-11-12-21-16(4)15(3)5-6-20(21)13-19/h15-21H,1,5-13H2,2-4H3
InChIKeyHYQCQEJGHCCUHX-UHFFFAOYSA-N
MW288.52 g/mol
LogP6.47
Rot. Bonds2

About 1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 123269209) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is 1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID123269209
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC=C(C)C1CCC(C2CCC3C(CCC(C)C3C)C2)CC1
InChIInChI=1S/C21H36/c1-14(2)17-7-9-18(10-8-17)19-11-12-21-16(4)15(3)5-6-20(21)13-19/h15-21H,1,5-13H2,2-4H3
InChIKeyHYQCQEJGHCCUHX-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-2,3-dimethylbicyclo[3.2.0]heptane
CID 154561320
2-prop-1-en-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90735344
(3aR,7aS)-2,4,5-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 91357459
1,2,4-trimethyl-3-prop-1-en-2-ylcyclohexane
CID 91552917
1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 565551
1,2,7,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 123566635
[(1R,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexyl]methanol
CID 130848342
2-(4-prop-1-en-2-ylcyclohexyl)oxirane
CID 121217582
(1R,2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,2R)-2-methylcyclohexan-1-ol
CID 165066222
(2S)-2-methylbicyclo[2.2.0]hexane
CID 174068638
(1S,2S)-2-methylbicyclo[3.1.0]hexane
CID 154518403
[(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate
CID 102064475

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 123269209) is 1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is C=C(C)C1CCC(C2CCC3C(CCC(C)C3C)C2)CC1.
What is the InChIKey of 1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is HYQCQEJGHCCUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36/c1-14(2)17-7-9-18(10-8-17)19-11-12-21-16(4)15(3)5-6-20(21)13-19/h15-21H,1,5-13H2,2-4H3.
What are the key properties of 1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 288.52 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6-(4-prop-1-en-2-ylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 123269209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).