(4R,6R)-6-chloro-2,4-dimethylhept-2-ene

C9H17Cl — CID 170849205

IUPAC(4R,6R)-6-chloro-2,4-dimethylhept-2-ene
SMILESCC(C)=C[C@H](C)C[C@@H](C)Cl
InChIInChI=1S/C9H17Cl/c1-7(2)5-8(3)6-9(4)10/h5,8-9H,6H2,1-4H3/t8-,9+/m0/s1
InChIKeyXOHXWWRHAYWWHX-DTWKUNHWSA-N
MW160.69 g/mol
LogP3.61
Rot. Bonds3

About (4R,6R)-6-chloro-2,4-dimethylhept-2-ene

(4R,6R)-6-chloro-2,4-dimethylhept-2-ene (PubChem CID 170849205) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is (4R,6R)-6-chloro-2,4-dimethylhept-2-ene.

Molecular Properties

Compound Name(4R,6R)-6-chloro-2,4-dimethylhept-2-ene
PubChem CID170849205
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name(4R,6R)-6-chloro-2,4-dimethylhept-2-ene
SMILESCC(C)=C[C@H](C)C[C@@H](C)Cl
InChIInChI=1S/C9H17Cl/c1-7(2)5-8(3)6-9(4)10/h5,8-9H,6H2,1-4H3/t8-,9+/m0/s1
InChIKeyXOHXWWRHAYWWHX-DTWKUNHWSA-N
XLogP3.61
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 ≤ 53.61
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 (4R,6R)-6-chloro-2,4-dimethylhept-2-ene?
The IUPAC name of (4R,6R)-6-chloro-2,4-dimethylhept-2-ene (CID 170849205) is (4R,6R)-6-chloro-2,4-dimethylhept-2-ene.
What is the SMILES notation for (4R,6R)-6-chloro-2,4-dimethylhept-2-ene?
The canonical SMILES for (4R,6R)-6-chloro-2,4-dimethylhept-2-ene is CC(C)=C[C@H](C)C[C@@H](C)Cl.
What is the InChIKey of (4R,6R)-6-chloro-2,4-dimethylhept-2-ene?
The InChIKey is XOHXWWRHAYWWHX-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H17Cl/c1-7(2)5-8(3)6-9(4)10/h5,8-9H,6H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of (4R,6R)-6-chloro-2,4-dimethylhept-2-ene?
(4R,6R)-6-chloro-2,4-dimethylhept-2-ene has a molecular weight of 160.69 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6R)-6-chloro-2,4-dimethylhept-2-ene is sourced from PubChem (CID 170849205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).