5-chloro-2,2,3,9,9-pentamethyldecane

C15H31Cl — CID 89222081

IUPAC5-chloro-2,2,3,9,9-pentamethyldecane
SMILESCC(CC(Cl)CCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31Cl/c1-12(15(5,6)7)11-13(16)9-8-10-14(2,3)4/h12-13H,8-11H2,1-7H3
InChIKeyKGNLKGOWZSIFIP-UHFFFAOYSA-N
MW246.87 g/mol
LogP5.88
Rot. Bonds5

About 5-chloro-2,2,3,9,9-pentamethyldecane

5-chloro-2,2,3,9,9-pentamethyldecane (PubChem CID 89222081) has the molecular formula C15H31Cl and a molecular weight of 246.87 g/mol. Its IUPAC name is 5-chloro-2,2,3,9,9-pentamethyldecane.

Molecular Properties

Compound Name5-chloro-2,2,3,9,9-pentamethyldecane
PubChem CID89222081
Molecular FormulaC15H31Cl
Molecular Weight246.87 g/mol
Exact Mass246.21
IUPAC Name5-chloro-2,2,3,9,9-pentamethyldecane
SMILESCC(CC(Cl)CCCC(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31Cl/c1-12(15(5,6)7)11-13(16)9-8-10-14(2,3)4/h12-13H,8-11H2,1-7H3
InChIKeyKGNLKGOWZSIFIP-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.87
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2,3,9,9-pentamethyldecane?
The IUPAC name of 5-chloro-2,2,3,9,9-pentamethyldecane (CID 89222081) is 5-chloro-2,2,3,9,9-pentamethyldecane.
What is the SMILES notation for 5-chloro-2,2,3,9,9-pentamethyldecane?
The canonical SMILES for 5-chloro-2,2,3,9,9-pentamethyldecane is CC(CC(Cl)CCCC(C)(C)C)C(C)(C)C.
What is the InChIKey of 5-chloro-2,2,3,9,9-pentamethyldecane?
The InChIKey is KGNLKGOWZSIFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31Cl/c1-12(15(5,6)7)11-13(16)9-8-10-14(2,3)4/h12-13H,8-11H2,1-7H3.
What are the key properties of 5-chloro-2,2,3,9,9-pentamethyldecane?
5-chloro-2,2,3,9,9-pentamethyldecane has a molecular weight of 246.87 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2,3,9,9-pentamethyldecane is sourced from PubChem (CID 89222081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).