(E,5R)-5-chloro-2,6-dimethylhept-3-ene

C9H17Cl — CID 129412079

IUPAC(E,5R)-5-chloro-2,6-dimethylhept-3-ene
SMILESCC(C)/C=C/[C@H](Cl)C(C)C
InChIInChI=1S/C9H17Cl/c1-7(2)5-6-9(10)8(3)4/h5-9H,1-4H3/b6-5+/t9-/m0/s1
InChIKeyJYEUTNVSWWSYSZ-CYNONHLPSA-N
MW160.69 g/mol
LogP3.46
Rot. Bonds3

About (E,5R)-5-chloro-2,6-dimethylhept-3-ene

(E,5R)-5-chloro-2,6-dimethylhept-3-ene (PubChem CID 129412079) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is (E,5R)-5-chloro-2,6-dimethylhept-3-ene.

Molecular Properties

Compound Name(E,5R)-5-chloro-2,6-dimethylhept-3-ene
PubChem CID129412079
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name(E,5R)-5-chloro-2,6-dimethylhept-3-ene
SMILESCC(C)/C=C/[C@H](Cl)C(C)C
InChIInChI=1S/C9H17Cl/c1-7(2)5-6-9(10)8(3)4/h5-9H,1-4H3/b6-5+/t9-/m0/s1
InChIKeyJYEUTNVSWWSYSZ-CYNONHLPSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.69
LogP ≤ 53.46
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'}

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Frequently Asked Questions

What is the IUPAC name of (E,5R)-5-chloro-2,6-dimethylhept-3-ene?
The IUPAC name of (E,5R)-5-chloro-2,6-dimethylhept-3-ene (CID 129412079) is (E,5R)-5-chloro-2,6-dimethylhept-3-ene.
What is the SMILES notation for (E,5R)-5-chloro-2,6-dimethylhept-3-ene?
The canonical SMILES for (E,5R)-5-chloro-2,6-dimethylhept-3-ene is CC(C)/C=C/[C@H](Cl)C(C)C.
What is the InChIKey of (E,5R)-5-chloro-2,6-dimethylhept-3-ene?
The InChIKey is JYEUTNVSWWSYSZ-CYNONHLPSA-N. The full InChI is InChI=1S/C9H17Cl/c1-7(2)5-6-9(10)8(3)4/h5-9H,1-4H3/b6-5+/t9-/m0/s1.
What are the key properties of (E,5R)-5-chloro-2,6-dimethylhept-3-ene?
(E,5R)-5-chloro-2,6-dimethylhept-3-ene has a molecular weight of 160.69 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-5-chloro-2,6-dimethylhept-3-ene is sourced from PubChem (CID 129412079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).