1-chloro-4,8-dimethylnon-3-ene

C11H21Cl — CID 83163373

IUPAC1-chloro-4,8-dimethylnon-3-ene
SMILESCC(=CCCCl)CCCC(C)C
InChIInChI=1S/C11H21Cl/c1-10(2)6-4-7-11(3)8-5-9-12/h8,10H,4-7,9H2,1-3H3
InChIKeyVYDXFIYLACOLET-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.39
Rot. Bonds6

About 1-chloro-4,8-dimethylnon-3-ene

1-chloro-4,8-dimethylnon-3-ene (PubChem CID 83163373) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 1-chloro-4,8-dimethylnon-3-ene.

Molecular Properties

Compound Name1-chloro-4,8-dimethylnon-3-ene
PubChem CID83163373
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name1-chloro-4,8-dimethylnon-3-ene
SMILESCC(=CCCCl)CCCC(C)C
InChIInChI=1S/C11H21Cl/c1-10(2)6-4-7-11(3)8-5-9-12/h8,10H,4-7,9H2,1-3H3
InChIKeyVYDXFIYLACOLET-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.74
LogP ≤ 54.39
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

6,10-dimethylundec-5-en-2-ol
CID 57253097
(Z)-N,4,8-trimethylnon-3-en-1-amine
CID 83162608
(E)-2,6,10,13-tetramethyltetradec-6-ene
CID 58292425
magnesium;3,7,11-trimethyldodeca-2,6-diene;dichloride
CID 174246815
(E)-4,8-dimethylnon-3-ene
CID 22743489
3,7,11-trimethyldodeca-1,2,6-trien-1-ol
CID 176539345
1-chloro-4,6-dimethylhept-3-ene
CID 79603963
3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
CID 162895181
(E)-2,2-dimethoxy-6,10-dimethylundec-5-ene
CID 23352870
4,9-dimethyldec-3-ene
CID 91170380
1-chloro-8,8,8-trifluoro-4-methyloct-3-ene
CID 115519676
(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4,8-dimethylnon-3-ene?
The IUPAC name of 1-chloro-4,8-dimethylnon-3-ene (CID 83163373) is 1-chloro-4,8-dimethylnon-3-ene.
What is the SMILES notation for 1-chloro-4,8-dimethylnon-3-ene?
The canonical SMILES for 1-chloro-4,8-dimethylnon-3-ene is CC(=CCCCl)CCCC(C)C.
What is the InChIKey of 1-chloro-4,8-dimethylnon-3-ene?
The InChIKey is VYDXFIYLACOLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-10(2)6-4-7-11(3)8-5-9-12/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 1-chloro-4,8-dimethylnon-3-ene?
1-chloro-4,8-dimethylnon-3-ene has a molecular weight of 188.74 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4,8-dimethylnon-3-ene is sourced from PubChem (CID 83163373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).