4,5-dimethyl-2-[(3-methyl-2-propan-2-ylcyclopentyl)methyl]bicyclo[5.1.0]octane

C20H36 — CID 123754882

IUPAC4,5-dimethyl-2-[(3-methyl-2-propan-2-ylcyclopentyl)methyl]bicyclo[5.1.0]octane
SMILESCC(C)C1C(C)CCC1CC1CC(C)C(C)CC2CC12
InChIInChI=1S/C20H36/c1-12(2)20-13(3)6-7-16(20)10-17-8-14(4)15(5)9-18-11-19(17)18/h12-20H,6-11H2,1-5H3
InChIKeyCSHOODPJYUIRMZ-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.01
Rot. Bonds3

About 4,5-dimethyl-2-[(3-methyl-2-propan-2-ylcyclopentyl)methyl]bicyclo[5.1.0]octane

4,5-dimethyl-2-[(3-methyl-2-propan-2-ylcyclopentyl)methyl]bicyclo[5.1.0]octane (PubChem CID 123754882) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(3-methyl-2-propan-2-ylcyclopentyl)methyl]bicyclo[5.1.0]octane.

Molecular Properties

Compound Name4,5-dimethyl-2-[(3-methyl-2-propan-2-ylcyclopentyl)methyl]bicyclo[5.1.0]octane
PubChem CID123754882
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name4,5-dimethyl-2-[(3-methyl-2-propan-2-ylcyclopentyl)methyl]bicyclo[5.1.0]octane
SMILESCC(C)C1C(C)CCC1CC1CC(C)C(C)CC2CC12
InChIInChI=1S/C20H36/c1-12(2)20-13(3)6-7-16(20)10-17-8-14(4)15(5)9-18-11-19(17)18/h12-20H,6-11H2,1-5H3
InChIKeyCSHOODPJYUIRMZ-UHFFFAOYSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-3-[(2-propan-2-ylcyclobutyl)methyl]cyclobutane
CID 123443774
N-[[2-(3,4-dimethylcyclohexyl)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 81026255
(1S,2S,3R,6R,7R,8S,10S)-3-methyltetracyclo[5.4.0.02,6.08,10]undecane
CID 143721381
3-propan-2-yltricyclo[3.1.1.12,4]octane
CID 176821598
1-ethyl-3-methyl-2-propan-2-ylcyclohexane
CID 20695087
1-cyclopropyl-2,4-dimethyl-3-propan-2-ylcyclopentane
CID 123954813
2-(cyclopropylmethyl)bicyclo[3.1.0]hexane
CID 123541762
1,2,3-trimethyl-4-[(2,3,4-trimethylcyclohexyl)methyl]cyclohexane
CID 59755188
1,4,7-trimethyl-3-(2-methylpropyl)-2,3,3a,4,5,6,6a,7,8,9,9a,9b-dodecahydro-1H-phenalene
CID 71440000
1-[2-(3,4-dimethylcyclohexyl)cyclobutyl]-N-methylmethanamine
CID 81017273
(1S)-1-methyl-2-[[(2R)-2-methylcyclopropyl]methyl]cyclopropane
CID 59524466
4-methyl-2-propan-2-yltricyclo[6.1.0.03,5]nonane
CID 91310355

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(3-methyl-2-propan-2-ylcyclopentyl)methyl]bicyclo[5.1.0]octane?
The IUPAC name of 4,5-dimethyl-2-[(3-methyl-2-propan-2-ylcyclopentyl)methyl]bicyclo[5.1.0]octane (CID 123754882) is 4,5-dimethyl-2-[(3-methyl-2-propan-2-ylcyclopentyl)methyl]bicyclo[5.1.0]octane.
What is the SMILES notation for 4,5-dimethyl-2-[(3-methyl-2-propan-2-ylcyclopentyl)methyl]bicyclo[5.1.0]octane?
The canonical SMILES for 4,5-dimethyl-2-[(3-methyl-2-propan-2-ylcyclopentyl)methyl]bicyclo[5.1.0]octane is CC(C)C1C(C)CCC1CC1CC(C)C(C)CC2CC12.
What is the InChIKey of 4,5-dimethyl-2-[(3-methyl-2-propan-2-ylcyclopentyl)methyl]bicyclo[5.1.0]octane?
The InChIKey is CSHOODPJYUIRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-12(2)20-13(3)6-7-16(20)10-17-8-14(4)15(5)9-18-11-19(17)18/h12-20H,6-11H2,1-5H3.
What are the key properties of 4,5-dimethyl-2-[(3-methyl-2-propan-2-ylcyclopentyl)methyl]bicyclo[5.1.0]octane?
4,5-dimethyl-2-[(3-methyl-2-propan-2-ylcyclopentyl)methyl]bicyclo[5.1.0]octane has a molecular weight of 276.51 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(3-methyl-2-propan-2-ylcyclopentyl)methyl]bicyclo[5.1.0]octane is sourced from PubChem (CID 123754882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).