(4S)-1,4-dichloro-3,6-dimethyloctane

C10H20Cl2 — CID 155032918

IUPAC(4S)-1,4-dichloro-3,6-dimethyloctane
SMILESCCC(C)C[C@H](Cl)C(C)CCCl
InChIInChI=1S/C10H20Cl2/c1-4-8(2)7-10(12)9(3)5-6-11/h8-10H,4-7H2,1-3H3/t8?,9?,10-/m0/s1
InChIKeyUVALLBZOMHATTA-RTBKNWGFSA-N
MW211.18 g/mol
LogP4.30
Rot. Bonds6

About (4S)-1,4-dichloro-3,6-dimethyloctane

(4S)-1,4-dichloro-3,6-dimethyloctane (PubChem CID 155032918) has the molecular formula C10H20Cl2 and a molecular weight of 211.18 g/mol. Its IUPAC name is (4S)-1,4-dichloro-3,6-dimethyloctane.

Molecular Properties

Compound Name(4S)-1,4-dichloro-3,6-dimethyloctane
PubChem CID155032918
Molecular FormulaC10H20Cl2
Molecular Weight211.18 g/mol
Exact Mass210.09
IUPAC Name(4S)-1,4-dichloro-3,6-dimethyloctane
SMILESCCC(C)C[C@H](Cl)C(C)CCCl
InChIInChI=1S/C10H20Cl2/c1-4-8(2)7-10(12)9(3)5-6-11/h8-10H,4-7H2,1-3H3/t8?,9?,10-/m0/s1
InChIKeyUVALLBZOMHATTA-RTBKNWGFSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 54.30
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

3,5-dimethylheptane;3,4-dimethylhexane;3,6-dimethyloctane
CID 161182355
3,5-dimethylheptane;ethane
CID 172617343
1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane
CID 107746913
3,5,7,10,12-pentamethyltetradecane
CID 59582352
(5R)-2,3,5-trimethylheptane
CID 59882960
(4S)-2,4-dimethylhexane
CID 22810193
1,3,5,7-tetrachloro-4-(2-chloroethyl)nonane
CID 20749064
3,5,6-trimethyldecane
CID 57490917
3-ethyl-2,2,4,6-tetramethyloctane
CID 57492379
(5S)-3-ethyl-5-methylheptane
CID 59094044
(4R)-2,4-dimethylhexane;methane
CID 157133469
2,4-dimethylhexane;propane
CID 143348383

Frequently Asked Questions

What is the IUPAC name of (4S)-1,4-dichloro-3,6-dimethyloctane?
The IUPAC name of (4S)-1,4-dichloro-3,6-dimethyloctane (CID 155032918) is (4S)-1,4-dichloro-3,6-dimethyloctane.
What is the SMILES notation for (4S)-1,4-dichloro-3,6-dimethyloctane?
The canonical SMILES for (4S)-1,4-dichloro-3,6-dimethyloctane is CCC(C)C[C@H](Cl)C(C)CCCl.
What is the InChIKey of (4S)-1,4-dichloro-3,6-dimethyloctane?
The InChIKey is UVALLBZOMHATTA-RTBKNWGFSA-N. The full InChI is InChI=1S/C10H20Cl2/c1-4-8(2)7-10(12)9(3)5-6-11/h8-10H,4-7H2,1-3H3/t8?,9?,10-/m0/s1.
What are the key properties of (4S)-1,4-dichloro-3,6-dimethyloctane?
(4S)-1,4-dichloro-3,6-dimethyloctane has a molecular weight of 211.18 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,4-dichloro-3,6-dimethyloctane is sourced from PubChem (CID 155032918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).