4-chloro-2-methyl-3-methylideneheptane

C9H17Cl — CID 56988326

IUPAC4-chloro-2-methyl-3-methylideneheptane
SMILESC=C(C(C)C)C(Cl)CCC
InChIInChI=1S/C9H17Cl/c1-5-6-9(10)8(4)7(2)3/h7,9H,4-6H2,1-3H3
InChIKeyJYBKCRCCGAHZGZ-UHFFFAOYSA-N
MW160.69 g/mol
LogP3.61
Rot. Bonds4

About 4-chloro-2-methyl-3-methylideneheptane

4-chloro-2-methyl-3-methylideneheptane (PubChem CID 56988326) has the molecular formula C9H17Cl and a molecular weight of 160.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-3-methylideneheptane.

Molecular Properties

Compound Name4-chloro-2-methyl-3-methylideneheptane
PubChem CID56988326
Molecular FormulaC9H17Cl
Molecular Weight160.69 g/mol
Exact Mass160.10
IUPAC Name4-chloro-2-methyl-3-methylideneheptane
SMILESC=C(C(C)C)C(Cl)CCC
InChIInChI=1S/C9H17Cl/c1-5-6-9(10)8(4)7(2)3/h7,9H,4-6H2,1-3H3
InChIKeyJYBKCRCCGAHZGZ-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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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Related Compounds

3-chloro-2-(chloromethyl)hex-1-ene
CID 24972007
4-chloro-5-methylideneoctane
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CID 57069417
(4R)-4-chloro-2-iodohept-1-ene
CID 154992040
2,4-dimethyl-3-methylidenehexane
CID 90734956
N,6-dimethyl-5-methylidene-N-propan-2-yl-4-propylheptan-2-amine
CID 170048079
3-methylhexane;2-methylprop-1-ene
CID 165405684
2-chloro-N,N-diethylpentanamide
CID 62224091
(4Z)-2,6-dimethylnona-1,4-diene
CID 142337517
(Z)-2,7-dimethyl-3,6-dimethylidenedec-4-ene;propane
CID 166116853
2-methyl-3-methylidene-N-propan-2-yldecan-4-amine
CID 134583641
CID 5485152
CID 5485152

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-3-methylideneheptane?
The IUPAC name of 4-chloro-2-methyl-3-methylideneheptane (CID 56988326) is 4-chloro-2-methyl-3-methylideneheptane.
What is the SMILES notation for 4-chloro-2-methyl-3-methylideneheptane?
The canonical SMILES for 4-chloro-2-methyl-3-methylideneheptane is C=C(C(C)C)C(Cl)CCC.
What is the InChIKey of 4-chloro-2-methyl-3-methylideneheptane?
The InChIKey is JYBKCRCCGAHZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl/c1-5-6-9(10)8(4)7(2)3/h7,9H,4-6H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-3-methylideneheptane?
4-chloro-2-methyl-3-methylideneheptane has a molecular weight of 160.69 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-3-methylideneheptane is sourced from PubChem (CID 56988326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).