1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C30H54 — CID 144809704

IUPAC1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC1C(CC)C(C2CCC(C3CCCC(C)C3C)C2)C2CCCCC2C1C(C)C
InChIInChI=1S/C30H54/c1-7-24-25(8-2)30(28-14-10-9-13-27(28)29(24)19(3)4)23-17-16-22(18-23)26-15-11-12-20(5)21(26)6/h19-30H,7-18H2,1-6H3
InChIKeyBQYRXZODYHPSBK-UHFFFAOYSA-N
MW414.76 g/mol
LogP9.24
Rot. Bonds5

About 1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 144809704) has the molecular formula C30H54 and a molecular weight of 414.76 g/mol. Its IUPAC name is 1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID144809704
Molecular FormulaC30H54
Molecular Weight414.76 g/mol
Exact Mass414.42
IUPAC Name1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC1C(CC)C(C2CCC(C3CCCC(C)C3C)C2)C2CCCCC2C1C(C)C
InChIInChI=1S/C30H54/c1-7-24-25(8-2)30(28-14-10-9-13-27(28)29(24)19(3)4)23-17-16-22(18-23)26-15-11-12-20(5)21(26)6/h19-30H,7-18H2,1-6H3
InChIKeyBQYRXZODYHPSBK-UHFFFAOYSA-N
XLogP9.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.76
LogP ≤ 59.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

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Related Compounds

1-ethyl-2,3,4-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 162289049
1-ethyl-2-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147174204
2-ethyl-3-methylbicyclo[5.1.0]octane
CID 123245029
trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 565551
[3-ethyl-1,4-bis[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]methanol
CID 142004585
1-ethyl-3-methyl-2-propan-2-ylcyclohexane
CID 20695087
(3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane
CID 162277758
11-methyl-12-propan-2-ylbicyclo[8.2.0]dodecane
CID 91043765
(7S)-7-ethyl-2-methylbicyclo[2.2.1]heptane
CID 144532112
(1S,2S,3aR,7aR)-1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;cyclohexane
CID 90841263
2-ethyl-1-(5-ethyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclopentane
CID 161039599

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 144809704) is 1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCC1C(CC)C(C2CCC(C3CCCC(C)C3C)C2)C2CCCCC2C1C(C)C.
What is the InChIKey of 1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is BQYRXZODYHPSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54/c1-7-24-25(8-2)30(28-14-10-9-13-27(28)29(24)19(3)4)23-17-16-22(18-23)26-15-11-12-20(5)21(26)6/h19-30H,7-18H2,1-6H3.
What are the key properties of 1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 414.76 g/mol, XLogP of 9.24, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dimethylcyclohexyl)cyclopentyl]-2,3-diethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 144809704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).