3-chloro-2-methyl-7-methylidenenonane

C11H21Cl — CID 66036904

IUPAC3-chloro-2-methyl-7-methylidenenonane
SMILESC=C(CC)CCCC(Cl)C(C)C
InChIInChI=1S/C11H21Cl/c1-5-10(4)7-6-8-11(12)9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyGKLFHQHXUOPZGC-UHFFFAOYSA-N
MW188.74 g/mol
LogP4.39
Rot. Bonds6

About 3-chloro-2-methyl-7-methylidenenonane

3-chloro-2-methyl-7-methylidenenonane (PubChem CID 66036904) has the molecular formula C11H21Cl and a molecular weight of 188.74 g/mol. Its IUPAC name is 3-chloro-2-methyl-7-methylidenenonane.

Molecular Properties

Compound Name3-chloro-2-methyl-7-methylidenenonane
PubChem CID66036904
Molecular FormulaC11H21Cl
Molecular Weight188.74 g/mol
Exact Mass188.13
IUPAC Name3-chloro-2-methyl-7-methylidenenonane
SMILESC=C(CC)CCCC(Cl)C(C)C
InChIInChI=1S/C11H21Cl/c1-5-10(4)7-6-8-11(12)9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyGKLFHQHXUOPZGC-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

3-chloro-2-methylheptane
CID 523767
N,2,2-trimethyl-7-methylidenenonan-3-amine
CID 66037615
3,8,15,20-tetramethylidenedocosane
CID 176610318
3-chloro-2-methyltetradecane
CID 63459285
2-chloro-6-methylidenedodecane
CID 139337956
(2R)-2-methyl-5-methylideneheptanal
CID 10240896
3-methylidenedecane
CID 21453024
1,1-dimethoxy-7-methylidenenonane
CID 11252644
8-methyl-4-methylidenenonan-1-amine
CID 134380496
3,8-dimethylidenetetradecane
CID 173410299
(3S,4R,7S)-2-iodo-4-(iodomethyl)-3,7-dimethyl-11-methylidenetridecane
CID 118569157
5-methyl-9-methylidenetetradecane
CID 142037910

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-7-methylidenenonane?
The IUPAC name of 3-chloro-2-methyl-7-methylidenenonane (CID 66036904) is 3-chloro-2-methyl-7-methylidenenonane.
What is the SMILES notation for 3-chloro-2-methyl-7-methylidenenonane?
The canonical SMILES for 3-chloro-2-methyl-7-methylidenenonane is C=C(CC)CCCC(Cl)C(C)C.
What is the InChIKey of 3-chloro-2-methyl-7-methylidenenonane?
The InChIKey is GKLFHQHXUOPZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21Cl/c1-5-10(4)7-6-8-11(12)9(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 3-chloro-2-methyl-7-methylidenenonane?
3-chloro-2-methyl-7-methylidenenonane 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 3-chloro-2-methyl-7-methylidenenonane is sourced from PubChem (CID 66036904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).