2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene

C11H15ClS — CID 83934918

IUPAC2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene
SMILESCC/C=C\C(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H15ClS/c1-3-4-5-9(2)8-10-6-7-11(12)13-10/h4-7,9H,3,8H2,1-2H3/b5-4-
InChIKeyYQGKIRSQRSCINM-PLNGDYQASA-N
MW214.76 g/mol
LogP4.55
Rot. Bonds4

About 2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene

2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene (PubChem CID 83934918) has the molecular formula C11H15ClS and a molecular weight of 214.76 g/mol. Its IUPAC name is 2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene.

Molecular Properties

Compound Name2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene
PubChem CID83934918
Molecular FormulaC11H15ClS
Molecular Weight214.76 g/mol
Exact Mass214.06
IUPAC Name2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene
SMILESCC/C=C\C(C)Cc1ccc(Cl)s1
InChIInChI=1S/C11H15ClS/c1-3-4-5-9(2)8-10-6-7-11(12)13-10/h4-7,9H,3,8H2,1-2H3/b5-4-
InChIKeyYQGKIRSQRSCINM-PLNGDYQASA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.76
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
1-methyl-4-[(Z)-2-methylhex-3-enyl]benzene
CID 83930880
[1-(5-chlorothiophen-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105199674
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine
CID 79616113
1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine
CID 115841703
2-chloro-5-(2-methylsulfanylbutyl)thiophene
CID 54222118
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562
2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
CID 65393739
1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine
CID 63560615
1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine
CID 105135075
5-(5-chlorothiophen-2-yl)pentan-2-ol
CID 64515785
2-(5-chlorothiophen-2-yl)-1-cyclopropylethanamine
CID 62602598

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene?
The IUPAC name of 2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene (CID 83934918) is 2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene.
What is the SMILES notation for 2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene?
The canonical SMILES for 2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene is CC/C=C\C(C)Cc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene?
The InChIKey is YQGKIRSQRSCINM-PLNGDYQASA-N. The full InChI is InChI=1S/C11H15ClS/c1-3-4-5-9(2)8-10-6-7-11(12)13-10/h4-7,9H,3,8H2,1-2H3/b5-4-.
What are the key properties of 2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene?
2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene has a molecular weight of 214.76 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(Z)-2-methylhex-3-enyl]thiophene is sourced from PubChem (CID 83934918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).