(2R,3S,4R)-2-chloro-4-ethenyl-3-methyl-5-methylideneheptane

C11H19Cl — CID 174077915

IUPAC(2R,3S,4R)-2-chloro-4-ethenyl-3-methyl-5-methylideneheptane
SMILESC=C[C@@H](C(=C)CC)[C@H](C)[C@@H](C)Cl
InChIInChI=1S/C11H19Cl/c1-6-8(3)11(7-2)9(4)10(5)12/h7,9-11H,2-3,6H2,1,4-5H3/t9-,10-,11+/m1/s1
InChIKeyRYUAONPZZAOUGX-MXWKQRLJSA-N
MW186.73 g/mol
LogP4.02
Rot. Bonds5

About (2R,3S,4R)-2-chloro-4-ethenyl-3-methyl-5-methylideneheptane

(2R,3S,4R)-2-chloro-4-ethenyl-3-methyl-5-methylideneheptane (PubChem CID 174077915) has the molecular formula C11H19Cl and a molecular weight of 186.73 g/mol. Its IUPAC name is (2R,3S,4R)-2-chloro-4-ethenyl-3-methyl-5-methylideneheptane.

Molecular Properties

Compound Name(2R,3S,4R)-2-chloro-4-ethenyl-3-methyl-5-methylideneheptane
PubChem CID174077915
Molecular FormulaC11H19Cl
Molecular Weight186.73 g/mol
Exact Mass186.12
IUPAC Name(2R,3S,4R)-2-chloro-4-ethenyl-3-methyl-5-methylideneheptane
SMILESC=C[C@@H](C(=C)CC)[C@H](C)[C@@H](C)Cl
InChIInChI=1S/C11H19Cl/c1-6-8(3)11(7-2)9(4)10(5)12/h7,9-11H,2-3,6H2,1,4-5H3/t9-,10-,11+/m1/s1
InChIKeyRYUAONPZZAOUGX-MXWKQRLJSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.73
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2R,3S,4R)-2-chloro-4-ethenyl-3-methyl-5-methylideneheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Citronellyl chloride
CID 9815366
9-Chloro-3-methylnon-1-ene
CID 21838954
(4R,5S,6S,7S)-3-chloro-8,8,8-trifluoro-4,5,6,7-tetramethyloct-1-ene
CID 174085420
5-(Chloromethyl)tridec-1-ene
CID 101431507
4-(2-Chloroethyl)dodec-1-ene
CID 101431509
6-Chloro-4,5-dimethyl-2-heptene
CID 129658650
(3R)-3-(chloromethyl)hept-1-ene
CID 131139415
5-(chloromethyl)-1,3-bis(prop-2-enyl)-3,4-dihydro-2H-borinine
CID 134890575
(E,3R,7R)-1-chloro-3,7,11-trimethyldodec-5-ene
CID 13191843
7-Chloro-5,7-dimethyloct-1-ene
CID 71333528
8-Chloro-2,4,6-trimethylnon-2-ene
CID 86260523
7-Chloro-3,5-dimethyloct-1-ene
CID 86260541

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2-chloro-4-ethenyl-3-methyl-5-methylideneheptane?
The IUPAC name of (2R,3S,4R)-2-chloro-4-ethenyl-3-methyl-5-methylideneheptane (CID 174077915) is (2R,3S,4R)-2-chloro-4-ethenyl-3-methyl-5-methylideneheptane.
What is the SMILES notation for (2R,3S,4R)-2-chloro-4-ethenyl-3-methyl-5-methylideneheptane?
The canonical SMILES for (2R,3S,4R)-2-chloro-4-ethenyl-3-methyl-5-methylideneheptane is C=C[C@@H](C(=C)CC)[C@H](C)[C@@H](C)Cl.
What is the InChIKey of (2R,3S,4R)-2-chloro-4-ethenyl-3-methyl-5-methylideneheptane?
The InChIKey is RYUAONPZZAOUGX-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H19Cl/c1-6-8(3)11(7-2)9(4)10(5)12/h7,9-11H,2-3,6H2,1,4-5H3/t9-,10-,11+/m1/s1.
What are the key properties of (2R,3S,4R)-2-chloro-4-ethenyl-3-methyl-5-methylideneheptane?
(2R,3S,4R)-2-chloro-4-ethenyl-3-methyl-5-methylideneheptane has a molecular weight of 186.73 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2-chloro-4-ethenyl-3-methyl-5-methylideneheptane is sourced from PubChem (CID 174077915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).