4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane

C18H36 — CID 123783398

IUPAC4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane
SMILESCC1CCCC(C)CCC(CC(C)C(C)C)CC1
InChIInChI=1S/C18H36/c1-14(2)17(5)13-18-11-9-15(3)7-6-8-16(4)10-12-18/h14-18H,6-13H2,1-5H3
InChIKeyICDGZRVIZULXSX-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.30
Rot. Bonds3

About 4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane

4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane (PubChem CID 123783398) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane.

Molecular Properties

Compound Name4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane
PubChem CID123783398
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane
SMILESCC1CCCC(C)CCC(CC(C)C(C)C)CC1
InChIInChI=1S/C18H36/c1-14(2)17(5)13-18-11-9-15(3)7-6-8-16(4)10-12-18/h14-18H,6-13H2,1-5H3
InChIKeyICDGZRVIZULXSX-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(2R)-2,3-dimethylbutyl]cyclopropane
CID 58368146
2,3-dimethylbutylcyclodecane
CID 123220792
(2S)-1-(4-methylcyclohexyl)propan-2-amine
CID 163792436
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
1-methyl-4-(3-methylbutan-2-yl)cycloheptane
CID 123691216
1-(2,3-dimethylbutyl)-3-ethylcyclopentane
CID 123993465
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
butane;methylcyclobutane;methylcyclopropane;2-methylpropane;propane
CID 160734051
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
4-methyl-1-(4-methylcycloheptyl)-2-(propan-2-ylamino)pentan-3-one
CID 164530903
1-methyl-4-propylcycloheptane
CID 90967653
1-(2,5-dimethylhexyl)-4-methylcyclohexane
CID 90937103

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane?
The IUPAC name of 4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane (CID 123783398) is 4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane.
What is the SMILES notation for 4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane?
The canonical SMILES for 4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane is CC1CCCC(C)CCC(CC(C)C(C)C)CC1.
What is the InChIKey of 4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane?
The InChIKey is ICDGZRVIZULXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-14(2)17(5)13-18-11-9-15(3)7-6-8-16(4)10-12-18/h14-18H,6-13H2,1-5H3.
What are the key properties of 4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane?
4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane has a molecular weight of 252.49 g/mol, XLogP of 6.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutyl)-1,7-dimethylcyclodecane is sourced from PubChem (CID 123783398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).