(5Z)-4-chloro-7,7-dimethylnona-2,5-diene

C11H19Cl — CID 135244343

IUPAC(5Z)-4-chloro-7,7-dimethylnona-2,5-diene
SMILESCC=CC(Cl)/C=C\C(C)(C)CC
InChIInChI=1S/C11H19Cl/c1-5-7-10(12)8-9-11(3,4)6-2/h5,7-10H,6H2,1-4H3/b7-5?,9-8-
InChIKeyNHJQMZVERMCUIG-RLDRTREZSA-N
MW186.73 g/mol
LogP4.16
Rot. Bonds4

About (5Z)-4-chloro-7,7-dimethylnona-2,5-diene

(5Z)-4-chloro-7,7-dimethylnona-2,5-diene (PubChem CID 135244343) has the molecular formula C11H19Cl and a molecular weight of 186.73 g/mol. Its IUPAC name is (5Z)-4-chloro-7,7-dimethylnona-2,5-diene.

Molecular Properties

Compound Name(5Z)-4-chloro-7,7-dimethylnona-2,5-diene
PubChem CID135244343
Molecular FormulaC11H19Cl
Molecular Weight186.73 g/mol
Exact Mass186.12
IUPAC Name(5Z)-4-chloro-7,7-dimethylnona-2,5-diene
SMILESCC=CC(Cl)/C=C\C(C)(C)CC
InChIInChI=1S/C11H19Cl/c1-5-7-10(12)8-9-11(3,4)6-2/h5,7-10H,6H2,1-4H3/b7-5?,9-8-
InChIKeyNHJQMZVERMCUIG-RLDRTREZSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.73
LogP ≤ 54.16
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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Related Compounds

(E)-5,5-dimethylhept-3-en-2-amine
CID 131248121
(Z)-4-chlorohept-2-ene
CID 88578806
4-ethyl-5,5-dimethylhex-2-ene
CID 91256075
3,3,6,6-tetramethylocta-1,4-diene
CID 123152058
3,3-dimethylpent-1-ene;ethane
CID 142059460
(E)-4-ethyl-6,6-dimethyloct-2-ene
CID 173194197
4,4,6,6-tetramethyloct-2-ene
CID 123519288
5-(2,2-dimethylpropoxy)-5-methylhept-2-en-4-ol
CID 167210256
1-chlorobut-2-enyl(trimethyl)azanium
CID 73411375
(E,3R)-2,2-dimethylhex-4-en-3-ol
CID 11446339
3-methylocta-4,6-dien-3-ol
CID 71319596
(E)-4-methylpent-2-ene;propane
CID 142019888

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-chloro-7,7-dimethylnona-2,5-diene?
The IUPAC name of (5Z)-4-chloro-7,7-dimethylnona-2,5-diene (CID 135244343) is (5Z)-4-chloro-7,7-dimethylnona-2,5-diene.
What is the SMILES notation for (5Z)-4-chloro-7,7-dimethylnona-2,5-diene?
The canonical SMILES for (5Z)-4-chloro-7,7-dimethylnona-2,5-diene is CC=CC(Cl)/C=C\C(C)(C)CC.
What is the InChIKey of (5Z)-4-chloro-7,7-dimethylnona-2,5-diene?
The InChIKey is NHJQMZVERMCUIG-RLDRTREZSA-N. The full InChI is InChI=1S/C11H19Cl/c1-5-7-10(12)8-9-11(3,4)6-2/h5,7-10H,6H2,1-4H3/b7-5?,9-8-.
What are the key properties of (5Z)-4-chloro-7,7-dimethylnona-2,5-diene?
(5Z)-4-chloro-7,7-dimethylnona-2,5-diene has a molecular weight of 186.73 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-chloro-7,7-dimethylnona-2,5-diene is sourced from PubChem (CID 135244343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).