1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane

C11H23ClS — CID 107746913

IUPAC1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane
SMILESCCC(C)CSCCC(C)CCCl
InChIInChI=1S/C11H23ClS/c1-4-10(2)9-13-8-6-11(3)5-7-12/h10-11H,4-9H2,1-3H3
InChIKeyWKOMHHJEEOSDKL-UHFFFAOYSA-N
MW222.82 g/mol
LogP4.42
Rot. Bonds8

About 1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane

1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane (PubChem CID 107746913) has the molecular formula C11H23ClS and a molecular weight of 222.82 g/mol. Its IUPAC name is 1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane.

Molecular Properties

Compound Name1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane
PubChem CID107746913
Molecular FormulaC11H23ClS
Molecular Weight222.82 g/mol
Exact Mass222.12
IUPAC Name1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane
SMILESCCC(C)CSCCC(C)CCCl
InChIInChI=1S/C11H23ClS/c1-4-10(2)9-13-8-6-11(3)5-7-12/h10-11H,4-9H2,1-3H3
InChIKeyWKOMHHJEEOSDKL-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.82
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)-4-(2-methylbutylsulfanyl)butan-1-ol
CID 107764835
2-ethoxy-4-(2-methylbutylsulfanyl)butan-1-amine
CID 107752284
2-methyl-1-(2-methylpropylsulfanyl)butane
CID 21026484
1-chloro-3-(2-methylbutylsulfanyl)propan-2-ol
CID 107746916
4-(2-methylbutylsulfanyl)butane-1-thiol
CID 107766515
3-(2-methylbutylsulfanyl)propanoic acid
CID 62105843
1-(2-azidoethylsulfanyl)-2-methylbutane
CID 107754200
(4S)-1,4-dichloro-3,6-dimethyloctane
CID 155032918
1-(2,2-difluoroethylsulfanyl)-2-methylbutane
CID 131201320
1-(2-methylbutylsulfanyl)propan-2-amine
CID 66217492
2-methyl-3-(2-methylbutylsulfanyl)propane-1-thiol
CID 107766506
4-[2-(2-methylbutylsulfanyl)ethyl]aniline
CID 107748838

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane?
The IUPAC name of 1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane (CID 107746913) is 1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane.
What is the SMILES notation for 1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane?
The canonical SMILES for 1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane is CCC(C)CSCCC(C)CCCl.
What is the InChIKey of 1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane?
The InChIKey is WKOMHHJEEOSDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClS/c1-4-10(2)9-13-8-6-11(3)5-7-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane?
1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane has a molecular weight of 222.82 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-5-(2-methylbutylsulfanyl)pentane is sourced from PubChem (CID 107746913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).