pentakis(1-cyclopentyl-2-methylcyclopentane);methane

C65H140 — CID 162268906

IUPACpentakis(1-cyclopentyl-2-methylcyclopentane);methane
SMILESC.C.C.C.C.C.C.C.C.C.CC1CCCC1C1CCCC1.CC1CCCC1C1CCCC1.CC1CCCC1C1CCCC1.CC1CCCC1C1CCCC1.CC1CCCC1C1CCCC1
InChIInChI=1S/5C11H20.10CH4/c5*1-9-5-4-8-11(9)10-6-2-3-7-10;;;;;;;;;;/h5*9-11H,2-8H2,1H3;10*1H4
InChIKeyGSXQKSHPVHJZDO-UHFFFAOYSA-N
MW921.83 g/mol
LogP24.42
Rot. Bonds5

About pentakis(1-cyclopentyl-2-methylcyclopentane);methane

pentakis(1-cyclopentyl-2-methylcyclopentane);methane (PubChem CID 162268906) has the molecular formula C65H140 and a molecular weight of 921.83 g/mol. Its IUPAC name is pentakis(1-cyclopentyl-2-methylcyclopentane);methane.

Molecular Properties

Compound Namepentakis(1-cyclopentyl-2-methylcyclopentane);methane
PubChem CID162268906
Molecular FormulaC65H140
Molecular Weight921.83 g/mol
Exact Mass921.10
IUPAC Namepentakis(1-cyclopentyl-2-methylcyclopentane);methane
SMILESC.C.C.C.C.C.C.C.C.C.CC1CCCC1C1CCCC1.CC1CCCC1C1CCCC1.CC1CCCC1C1CCCC1.CC1CCCC1C1CCCC1.CC1CCCC1C1CCCC1
InChIInChI=1S/5C11H20.10CH4/c5*1-9-5-4-8-11(9)10-6-2-3-7-10;;;;;;;;;;/h5*9-11H,2-8H2,1H3;10*1H4
InChIKeyGSXQKSHPVHJZDO-UHFFFAOYSA-N
XLogP24.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500921.83
LogP ≤ 524.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
1-cyclobutyl-2-methylcyclohexane
CID 146763407
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
CID 163683133
1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;methylcyclohexane
CID 173085914
(1R,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59207141
(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 134864690
2-methylbicyclo[5.2.0]nonane
CID 90842882
(1R,3aS,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 12701541
(1R,3aR,6aR)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12702720
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089
cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane
CID 158906506

Frequently Asked Questions

What is the IUPAC name of pentakis(1-cyclopentyl-2-methylcyclopentane);methane?
The IUPAC name of pentakis(1-cyclopentyl-2-methylcyclopentane);methane (CID 162268906) is pentakis(1-cyclopentyl-2-methylcyclopentane);methane.
What is the SMILES notation for pentakis(1-cyclopentyl-2-methylcyclopentane);methane?
The canonical SMILES for pentakis(1-cyclopentyl-2-methylcyclopentane);methane is C.C.C.C.C.C.C.C.C.C.CC1CCCC1C1CCCC1.CC1CCCC1C1CCCC1.CC1CCCC1C1CCCC1.CC1CCCC1C1CCCC1.CC1CCCC1C1CCCC1.
What is the InChIKey of pentakis(1-cyclopentyl-2-methylcyclopentane);methane?
The InChIKey is GSXQKSHPVHJZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/5C11H20.10CH4/c5*1-9-5-4-8-11(9)10-6-2-3-7-10;;;;;;;;;;/h5*9-11H,2-8H2,1H3;10*1H4.
What are the key properties of pentakis(1-cyclopentyl-2-methylcyclopentane);methane?
pentakis(1-cyclopentyl-2-methylcyclopentane);methane has a molecular weight of 921.83 g/mol, XLogP of 24.42, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(1-cyclopentyl-2-methylcyclopentane);methane is sourced from PubChem (CID 162268906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).