4,5-dimethyldecan-3-ylcyclopentane

C17H34 — CID 167499527

IUPAC4,5-dimethyldecan-3-ylcyclopentane
SMILESCCCCCC(C)C(C)C(CC)C1CCCC1
InChIInChI=1S/C17H34/c1-5-7-8-11-14(3)15(4)17(6-2)16-12-9-10-13-16/h14-17H,5-13H2,1-4H3
InChIKeySSQMXJHOMDPDEI-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.06
Rot. Bonds8

About 4,5-dimethyldecan-3-ylcyclopentane

4,5-dimethyldecan-3-ylcyclopentane (PubChem CID 167499527) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 4,5-dimethyldecan-3-ylcyclopentane.

Molecular Properties

Compound Name4,5-dimethyldecan-3-ylcyclopentane
PubChem CID167499527
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name4,5-dimethyldecan-3-ylcyclopentane
SMILESCCCCCC(C)C(C)C(CC)C1CCCC1
InChIInChI=1S/C17H34/c1-5-7-8-11-14(3)15(4)17(6-2)16-12-9-10-13-16/h14-17H,5-13H2,1-4H3
InChIKeySSQMXJHOMDPDEI-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyloctan-3-ylcycloheptane
CID 123273196
(7-ethyl-5-methyldodecan-4-yl)cyclobutane
CID 123270914
nonan-3-ylcyclopentane
CID 19893531
2-cyclohexyl-1-N,1-N'-di(propan-2-yl)undecane-1,1-diamine
CID 151929616
3,4,5-trimethyltridecane
CID 21201053
3-cyclopropylpentan-2-ylcyclopentane
CID 90913708
butan-2-ylcyclohexane;heptane
CID 143477095
1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
hexadecan-8-ylcyclohexane
CID 91510029
undecan-5-ylcyclohexane
CID 524419
1-cyclohexyl-2-methyl-N-propylhexan-1-amine
CID 114246260

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyldecan-3-ylcyclopentane?
The IUPAC name of 4,5-dimethyldecan-3-ylcyclopentane (CID 167499527) is 4,5-dimethyldecan-3-ylcyclopentane.
What is the SMILES notation for 4,5-dimethyldecan-3-ylcyclopentane?
The canonical SMILES for 4,5-dimethyldecan-3-ylcyclopentane is CCCCCC(C)C(C)C(CC)C1CCCC1.
What is the InChIKey of 4,5-dimethyldecan-3-ylcyclopentane?
The InChIKey is SSQMXJHOMDPDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-5-7-8-11-14(3)15(4)17(6-2)16-12-9-10-13-16/h14-17H,5-13H2,1-4H3.
What are the key properties of 4,5-dimethyldecan-3-ylcyclopentane?
4,5-dimethyldecan-3-ylcyclopentane has a molecular weight of 238.46 g/mol, XLogP of 6.06, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyldecan-3-ylcyclopentane is sourced from PubChem (CID 167499527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).