7-chloro-2,7-dimethylnon-2-ene

C11H21Cl — CID 170849082

IUPAC7-chloro-2,7-dimethylnon-2-ene
SMILESCCC(C)(Cl)CCCC=C(C)C
InChIInChI=1S/C11H21Cl/c1-5-11(4,12)9-7-6-8-10(2)3/h8H,5-7,9H2,1-4H3
InChIKeyNBNSCJODPIAHJM-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.53
Rot. Bonds5

About 7-chloro-2,7-dimethylnon-2-ene

7-chloro-2,7-dimethylnon-2-ene (PubChem CID 170849082) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 7-chloro-2,7-dimethylnon-2-ene.

Molecular Properties

Compound Name7-chloro-2,7-dimethylnon-2-ene
PubChem CID170849082
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name7-chloro-2,7-dimethylnon-2-ene
SMILESCCC(C)(Cl)CCCC=C(C)C
InChIInChI=1S/C11H21Cl/c1-5-11(4,12)9-7-6-8-10(2)3/h8H,5-7,9H2,1-4H3
InChIKeyNBNSCJODPIAHJM-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 7-chloro-2,7-dimethylnon-2-ene?
The IUPAC name of 7-chloro-2,7-dimethylnon-2-ene (CID 170849082) is 7-chloro-2,7-dimethylnon-2-ene.
What is the SMILES notation for 7-chloro-2,7-dimethylnon-2-ene?
The canonical SMILES for 7-chloro-2,7-dimethylnon-2-ene is CCC(C)(Cl)CCCC=C(C)C.
What is the InChIKey of 7-chloro-2,7-dimethylnon-2-ene?
The InChIKey is NBNSCJODPIAHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-5-11(4,12)9-7-6-8-10(2)3/h8H,5-7,9H2,1-4H3.
What are the key properties of 7-chloro-2,7-dimethylnon-2-ene?
7-chloro-2,7-dimethylnon-2-ene has a molecular weight of 188.74 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,7-dimethylnon-2-ene is sourced from PubChem (CID 170849082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).