2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene

C28H50 — CID 163912333

IUPAC2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESCC1CCC(C2CC3CC(C(C)C(C)C(C)C4CCC(C)CC4)CC3C2)CC1
InChIInChI=1S/C28H50/c1-18-6-10-23(11-7-18)21(4)20(3)22(5)25-14-27-16-26(17-28(27)15-25)24-12-8-19(2)9-13-24/h18-28H,6-17H2,1-5H3
InChIKeyQTFGWWBLBONARV-UHFFFAOYSA-N
MW386.71 g/mol
LogP8.60
Rot. Bonds5

About 2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene

2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene (PubChem CID 163912333) has the molecular formula C28H50 and a molecular weight of 386.71 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene
PubChem CID163912333
Molecular FormulaC28H50
Molecular Weight386.71 g/mol
Exact Mass386.39
IUPAC Name2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene
SMILESCC1CCC(C2CC3CC(C(C)C(C)C(C)C4CCC(C)CC4)CC3C2)CC1
InChIInChI=1S/C28H50/c1-18-6-10-23(11-7-18)21(4)20(3)22(5)25-14-27-16-26(17-28(27)15-25)24-12-8-19(2)9-13-24/h18-28H,6-17H2,1-5H3
InChIKeyQTFGWWBLBONARV-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.71
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene with MolForge

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Related Compounds

1-(3,4-dimethylpentan-2-yl)-4-methylcyclohexane
CID 123566081
1-methyl-4-[3-(4-methylcyclohexyl)butan-2-yl]cyclohexane
CID 123821196
2-methyl-6-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 123673492
6-methyl-1,3-bis(4-methylcyclooctyl)cyclooctane;methylcyclooctane
CID 162228402
(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 91751840
1-(1-hydroperoxyethyl)-4-(4-methylcyclohexyl)cyclohexane
CID 20708983
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
2-cyclopropyl-1-(4-methylcyclohexyl)propan-1-amine
CID 104988128
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
2-methyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 58782386
1-methyl-4-(3-methylbutan-2-yl)cycloheptane
CID 123691216

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene?
The IUPAC name of 2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene (CID 163912333) is 2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene.
What is the SMILES notation for 2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene?
The canonical SMILES for 2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene is CC1CCC(C2CC3CC(C(C)C(C)C(C)C4CCC(C)CC4)CC3C2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene?
The InChIKey is QTFGWWBLBONARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50/c1-18-6-10-23(11-7-18)21(4)20(3)22(5)25-14-27-16-26(17-28(27)15-25)24-12-8-19(2)9-13-24/h18-28H,6-17H2,1-5H3.
What are the key properties of 2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene?
2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene has a molecular weight of 386.71 g/mol, XLogP of 8.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-5-[3-methyl-4-(4-methylcyclohexyl)pentan-2-yl]-1,2,3,3a,4,5,6,6a-octahydropentalene is sourced from PubChem (CID 163912333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).