1,9-dichloro-4,6-diethyl-4-methylnonane

C14H28Cl2 — CID 174996053

IUPAC1,9-dichloro-4,6-diethyl-4-methylnonane
SMILESCCC(CCCCl)CC(C)(CC)CCCCl
InChIInChI=1S/C14H28Cl2/c1-4-13(8-6-10-15)12-14(3,5-2)9-7-11-16/h13H,4-12H2,1-3H3
InChIKeyKPTWONCWPIURIP-UHFFFAOYSA-N
MW267.28 g/mol
LogP5.86
Rot. Bonds10

About 1,9-dichloro-4,6-diethyl-4-methylnonane

1,9-dichloro-4,6-diethyl-4-methylnonane (PubChem CID 174996053) has the molecular formula C14H28Cl2 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1,9-dichloro-4,6-diethyl-4-methylnonane.

Molecular Properties

Compound Name1,9-dichloro-4,6-diethyl-4-methylnonane
PubChem CID174996053
Molecular FormulaC14H28Cl2
Molecular Weight267.28 g/mol
Exact Mass266.16
IUPAC Name1,9-dichloro-4,6-diethyl-4-methylnonane
SMILESCCC(CCCCl)CC(C)(CC)CCCCl
InChIInChI=1S/C14H28Cl2/c1-4-13(8-6-10-15)12-14(3,5-2)9-7-11-16/h13H,4-12H2,1-3H3
InChIKeyKPTWONCWPIURIP-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.28
LogP ≤ 55.86
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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CID 123513202
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CID 142522205
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CID 123958572
1-chloro-4-ethyl-2,2-dimethyloctane
CID 66060389
4-ethyl-2,2,9,9-tetramethyldecane
CID 157105314
7-(3-chloropropyl)-7-methyltridecane
CID 135291324
17-methyl-17,19-di(tetradecyl)pentatriacontane
CID 91342880
1-chloro-5-ethylundecane
CID 122651411
2,4-dibutyl-4-methyloctan-1-ol
CID 141037417
4-ethyl-2,2-dimethylundecane
CID 57148290
1-chloro-4,4-dimethylpentane
CID 524245
N-tert-butyl-2-(3-chloropropyl)-4-methylhexan-1-amine
CID 10243715

Frequently Asked Questions

What is the IUPAC name of 1,9-dichloro-4,6-diethyl-4-methylnonane?
The IUPAC name of 1,9-dichloro-4,6-diethyl-4-methylnonane (CID 174996053) is 1,9-dichloro-4,6-diethyl-4-methylnonane.
What is the SMILES notation for 1,9-dichloro-4,6-diethyl-4-methylnonane?
The canonical SMILES for 1,9-dichloro-4,6-diethyl-4-methylnonane is CCC(CCCCl)CC(C)(CC)CCCCl.
What is the InChIKey of 1,9-dichloro-4,6-diethyl-4-methylnonane?
The InChIKey is KPTWONCWPIURIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28Cl2/c1-4-13(8-6-10-15)12-14(3,5-2)9-7-11-16/h13H,4-12H2,1-3H3.
What are the key properties of 1,9-dichloro-4,6-diethyl-4-methylnonane?
1,9-dichloro-4,6-diethyl-4-methylnonane has a molecular weight of 267.28 g/mol, XLogP of 5.86, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dichloro-4,6-diethyl-4-methylnonane is sourced from PubChem (CID 174996053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).