2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane

C35H66 — CID 19033807

IUPAC2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane
SMILESCCCCC(C1CC(C)CCC1C(C)C)(C1CC(C)CCC1C(C)C)C1CC(C)CCC1C(C)C
InChIInChI=1S/C35H66/c1-11-12-19-35(32-20-26(8)13-16-29(32)23(2)3,33-21-27(9)14-17-30(33)24(4)5)34-22-28(10)15-18-31(34)25(6)7/h23-34H,11-22H2,1-10H3
InChIKeyOPMKQPFQADMRKU-UHFFFAOYSA-N
MW486.91 g/mol
LogP11.29
Rot. Bonds9

About 2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane

2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 19033807) has the molecular formula C35H66 and a molecular weight of 486.91 g/mol. Its IUPAC name is 2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane
PubChem CID19033807
Molecular FormulaC35H66
Molecular Weight486.91 g/mol
Exact Mass486.52
IUPAC Name2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane
SMILESCCCCC(C1CC(C)CCC1C(C)C)(C1CC(C)CCC1C(C)C)C1CC(C)CCC1C(C)C
InChIInChI=1S/C35H66/c1-11-12-19-35(32-20-26(8)13-16-29(32)23(2)3,33-21-27(9)14-17-30(33)24(4)5)34-22-28(10)15-18-31(34)25(6)7/h23-34H,11-22H2,1-10H3
InChIKeyOPMKQPFQADMRKU-UHFFFAOYSA-N
XLogP11.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.91
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane with MolForge

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Related Compounds

2-[1-bromo-2-(2-bromoethyl)-1-(5-methyl-2-propan-2-ylcyclohexyl)hexadecyl]-4-methyl-1-propan-2-ylcyclohexane
CID 67860509
2,4-dimethyl-1-propan-2-ylcyclohexane;propane
CID 143365202
tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 71403532
ethyl 2-hydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)pentanoate
CID 83051486
1-[chloro-bis(5-methyl-2-propan-2-ylcyclohexyl)methyl]-2-octadecylbenzene
CID 141158418
(1S,2S,4S)-2-ethyl-4-methyl-1-propan-2-ylcyclohexane
CID 166124501
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
2-(1-chloropentyl)-4-methyl-1-propan-2-ylcyclohexane
CID 174606217
2-[5,5-dibromo-1-methoxy-2-(methoxymethyl)hexan-2-yl]-4-methyl-1-propan-2-ylcyclohexane
CID 174162333
3-[2,3-dihydroxy-2-(5-methyl-2-propan-2-ylcyclohexyl)propoxy]-2-(5-methyl-2-propan-2-ylcyclohexyl)propane-1,2-diol
CID 139794288
trans-(1S,4R)-2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 142957322
2-butan-2-yl-4-methyl-1-propan-2-ylcyclohexane
CID 173263952

Frequently Asked Questions

What is the IUPAC name of 2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane (CID 19033807) is 2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane is CCCCC(C1CC(C)CCC1C(C)C)(C1CC(C)CCC1C(C)C)C1CC(C)CCC1C(C)C.
What is the InChIKey of 2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is OPMKQPFQADMRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H66/c1-11-12-19-35(32-20-26(8)13-16-29(32)23(2)3,33-21-27(9)14-17-30(33)24(4)5)34-22-28(10)15-18-31(34)25(6)7/h23-34H,11-22H2,1-10H3.
What are the key properties of 2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane?
2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 486.91 g/mol, XLogP of 11.29, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-bis(5-methyl-2-propan-2-ylcyclohexyl)pentyl]-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 19033807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).