3,3,8-trimethyldecan-2-ylcyclopropane

C16H32 — CID 123327548

IUPAC3,3,8-trimethyldecan-2-ylcyclopropane
SMILESCCC(C)CCCCC(C)(C)C(C)C1CC1
InChIInChI=1S/C16H32/c1-6-13(2)9-7-8-12-16(4,5)14(3)15-10-11-15/h13-15H,6-12H2,1-5H3
InChIKeyPDXLBMDVKOGVQQ-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.67
Rot. Bonds8

About 3,3,8-trimethyldecan-2-ylcyclopropane

3,3,8-trimethyldecan-2-ylcyclopropane (PubChem CID 123327548) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 3,3,8-trimethyldecan-2-ylcyclopropane.

Molecular Properties

Compound Name3,3,8-trimethyldecan-2-ylcyclopropane
PubChem CID123327548
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name3,3,8-trimethyldecan-2-ylcyclopropane
SMILESCCC(C)CCCCC(C)(C)C(C)C1CC1
InChIInChI=1S/C16H32/c1-6-13(2)9-7-8-12-16(4,5)14(3)15-10-11-15/h13-15H,6-12H2,1-5H3
InChIKeyPDXLBMDVKOGVQQ-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.67
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

3,3-dimethyloctan-2-ylcyclopentane;6-ethyl-3-methylnonane
CID 143367876
2,2,13-trimethylpentadecane
CID 150334228
7-methylnonylcyclopropane
CID 123906260
2,3,4,4,8-pentamethyldecane
CID 123715687
2,8-dimethyldecan-2-ol
CID 122367233
2,2,6-trimethyloctane
CID 522006
(6-ethyl-6,9-dimethylundecan-2-yl)cyclopropane
CID 123601549
(3R,7R)-3,7-dimethylnonane
CID 42626759
2,2,3,10-tetramethyldodecane
CID 123238890
2-fluoro-N,13-dimethylpentadecan-2-amine
CID 134365966
3,7,7-trimethyltridecane
CID 123996242
(11S)-11-methyltridecan-1-ol
CID 71389600

Frequently Asked Questions

What is the IUPAC name of 3,3,8-trimethyldecan-2-ylcyclopropane?
The IUPAC name of 3,3,8-trimethyldecan-2-ylcyclopropane (CID 123327548) is 3,3,8-trimethyldecan-2-ylcyclopropane.
What is the SMILES notation for 3,3,8-trimethyldecan-2-ylcyclopropane?
The canonical SMILES for 3,3,8-trimethyldecan-2-ylcyclopropane is CCC(C)CCCCC(C)(C)C(C)C1CC1.
What is the InChIKey of 3,3,8-trimethyldecan-2-ylcyclopropane?
The InChIKey is PDXLBMDVKOGVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-6-13(2)9-7-8-12-16(4,5)14(3)15-10-11-15/h13-15H,6-12H2,1-5H3.
What are the key properties of 3,3,8-trimethyldecan-2-ylcyclopropane?
3,3,8-trimethyldecan-2-ylcyclopropane has a molecular weight of 224.43 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8-trimethyldecan-2-ylcyclopropane is sourced from PubChem (CID 123327548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).