1-chloro-2,3,4,4-tetramethylpentane

C9H19Cl — CID 54014199

IUPAC1-chloro-2,3,4,4-tetramethylpentane
SMILESCC(CCl)C(C)C(C)(C)C
InChIInChI=1S/C9H19Cl/c1-7(6-10)8(2)9(3,4)5/h7-8H,6H2,1-5H3
InChIKeySEZBEWLKKOHNNH-UHFFFAOYSA-N
MW162.70 g/mol
LogP3.54
Rot. Bonds2

About 1-chloro-2,3,4,4-tetramethylpentane

1-chloro-2,3,4,4-tetramethylpentane (PubChem CID 54014199) has the molecular formula C9H19Cl and a molecular weight of 162.70 g/mol. Its IUPAC name is 1-chloro-2,3,4,4-tetramethylpentane.

Molecular Properties

Compound Name1-chloro-2,3,4,4-tetramethylpentane
PubChem CID54014199
Molecular FormulaC9H19Cl
Molecular Weight162.70 g/mol
Exact Mass162.12
IUPAC Name1-chloro-2,3,4,4-tetramethylpentane
SMILESCC(CCl)C(C)C(C)(C)C
InChIInChI=1S/C9H19Cl/c1-7(6-10)8(2)9(3,4)5/h7-8H,6H2,1-5H3
InChIKeySEZBEWLKKOHNNH-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.70
LogP ≤ 53.54
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

2,2,3,4-tetramethylhexane
CID 91324153
2,3,4,4-tetramethyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 149345110
2,2,3,4,6-pentamethyloctane
CID 57491075
1,1,3-trichloro-2-methylpropane
CID 23268512
2,2,3,4,5-pentamethylheptane
CID 53428630
1-chloro-2,3,5-trimethylhexane
CID 130519679
4-chloro-3-methylbutan-2-ol
CID 13204328
2,2,3,4,6,7,8,9-octamethyldodecane
CID 123701527
2,3,4,5,6,7,8,9,9-nonamethyldecan-1-amine
CID 146383769
(2R,3S)-3,4,4-trimethylpentan-2-ol
CID 58403064
[(4R)-2,2,3,5-tetramethylheptan-4-yl] carbonochloridate
CID 87111896
2,2,4,5,5-pentamethylhexan-3-amine
CID 131148580

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,4,4-tetramethylpentane?
The IUPAC name of 1-chloro-2,3,4,4-tetramethylpentane (CID 54014199) is 1-chloro-2,3,4,4-tetramethylpentane.
What is the SMILES notation for 1-chloro-2,3,4,4-tetramethylpentane?
The canonical SMILES for 1-chloro-2,3,4,4-tetramethylpentane is CC(CCl)C(C)C(C)(C)C.
What is the InChIKey of 1-chloro-2,3,4,4-tetramethylpentane?
The InChIKey is SEZBEWLKKOHNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19Cl/c1-7(6-10)8(2)9(3,4)5/h7-8H,6H2,1-5H3.
What are the key properties of 1-chloro-2,3,4,4-tetramethylpentane?
1-chloro-2,3,4,4-tetramethylpentane has a molecular weight of 162.70 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,4,4-tetramethylpentane is sourced from PubChem (CID 54014199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).