4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane

C55H96 — CID 154422769

IUPAC4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane
SMILESCC1CCC(C(C)C)C(C2=C(C3CC(C)CCC3C(C)C)C(C3CC(C)CCC3C(C)C)C(C3CC(C)CCC3C(C)C)=C2C2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C55H96/c1-31(2)41-21-16-36(11)26-46(41)51-52(47-27-37(12)17-22-42(47)32(3)4)54(49-29-39(14)19-24-44(49)34(7)8)55(50-30-40(15)20-25-45(50)35(9)10)53(51)48-28-38(13)18-23-43(48)33(5)6/h31-51H,16-30H2,1-15H3
InChIKeyUOBCZVOUWLPPHS-UHFFFAOYSA-N
MW757.37 g/mol
LogP16.75
Rot. Bonds10

About 4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane

4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane (PubChem CID 154422769) has the molecular formula C55H96 and a molecular weight of 757.37 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane
PubChem CID154422769
Molecular FormulaC55H96
Molecular Weight757.37 g/mol
Exact Mass756.75
IUPAC Name4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane
SMILESCC1CCC(C(C)C)C(C2=C(C3CC(C)CCC3C(C)C)C(C3CC(C)CCC3C(C)C)C(C3CC(C)CCC3C(C)C)=C2C2CC(C)CCC2C(C)C)C1
InChIInChI=1S/C55H96/c1-31(2)41-21-16-36(11)26-46(41)51-52(47-27-37(12)17-22-42(47)32(3)4)54(49-29-39(14)19-24-44(49)34(7)8)55(50-30-40(15)20-25-45(50)35(9)10)53(51)48-28-38(13)18-23-43(48)33(5)6/h31-51H,16-30H2,1-15H3
InChIKeyUOBCZVOUWLPPHS-UHFFFAOYSA-N
XLogP16.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.37
LogP ≤ 516.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,4S)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 153428714
(4S,4aR,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aR,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aS,8aS)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;(4S,4aS,8aR)-1,6-dimethyl-4-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 162070754
4-methyl-2-[5-(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]-1-propan-2-ylcyclohexane
CID 88632745
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
(1S,2R,4R)-2-cyclopenta-2,4-dien-1-yl-4-methyl-1-propan-2-ylcyclohexane
CID 15360728
hexakis[(-)-menthyl]distannane
CID 86177037
3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 163050318
3-hydroxy-2-[(1R,2S)-5-methyl-2-propan-2-ylcyclohexyl]-5-pentylcyclohexa-2,5-diene-1,4-dione
CID 11267579
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931
dimethyl-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 177420575
(1S,2S,4R)-4-methyl-1-propan-2-yl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)cyclohexane
CID 101104006
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane?
The IUPAC name of 4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane (CID 154422769) is 4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane.
What is the SMILES notation for 4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane?
The canonical SMILES for 4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane is CC1CCC(C(C)C)C(C2=C(C3CC(C)CCC3C(C)C)C(C3CC(C)CCC3C(C)C)C(C3CC(C)CCC3C(C)C)=C2C2CC(C)CCC2C(C)C)C1.
What is the InChIKey of 4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane?
The InChIKey is UOBCZVOUWLPPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H96/c1-31(2)41-21-16-36(11)26-46(41)51-52(47-27-37(12)17-22-42(47)32(3)4)54(49-29-39(14)19-24-44(49)34(7)8)55(50-30-40(15)20-25-45(50)35(9)10)53(51)48-28-38(13)18-23-43(48)33(5)6/h31-51H,16-30H2,1-15H3.
What are the key properties of 4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane?
4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane has a molecular weight of 757.37 g/mol, XLogP of 16.75, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-2-[2,3,4,5-tetrakis(5-methyl-2-propan-2-ylcyclohexyl)cyclopenta-1,4-dien-1-yl]cyclohexane is sourced from PubChem (CID 154422769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).