2-chloro-7-methyl-3-methylideneocta-1,6-diene

C10H15Cl — CID 23247410

IUPAC2-chloro-7-methyl-3-methylideneocta-1,6-diene
SMILESC=C(Cl)C(=C)CCC=C(C)C
InChIInChI=1S/C10H15Cl/c1-8(2)6-5-7-9(3)10(4)11/h6H,3-5,7H2,1-2H3
InChIKeyFFNJBTUAEWDYEM-UHFFFAOYSA-N
MW170.68 g/mol
LogP4.04
Rot. Bonds4

About 2-chloro-7-methyl-3-methylideneocta-1,6-diene

2-chloro-7-methyl-3-methylideneocta-1,6-diene (PubChem CID 23247410) has the molecular formula C10H15Cl and a molecular weight of 170.68 g/mol. Its IUPAC name is 2-chloro-7-methyl-3-methylideneocta-1,6-diene.

Molecular Properties

Compound Name2-chloro-7-methyl-3-methylideneocta-1,6-diene
PubChem CID23247410
Molecular FormulaC10H15Cl
Molecular Weight170.68 g/mol
Exact Mass170.09
IUPAC Name2-chloro-7-methyl-3-methylideneocta-1,6-diene
SMILESC=C(Cl)C(=C)CCC=C(C)C
InChIInChI=1S/C10H15Cl/c1-8(2)6-5-7-9(3)10(4)11/h6H,3-5,7H2,1-2H3
InChIKeyFFNJBTUAEWDYEM-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.68
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1,6-Octadiene, 3-chloro-3,7-dimethyl-
CID 101693
(2E,6Z)-1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene
CID 13992506
(3Z)-3-(bromomethylidene)-2-chloro-7-methylocta-1,6-diene
CID 5469803
1-(1-Chlorovinyl)cyclohexene
CID 129802961
(2Z)-1-chloro-3-(chloromethyl)-7-methylocta-2,6-diene
CID 13992508
6-Chloro-2,6-dimethylhept-2-ene
CID 550291
(e)-5-Chlorodec-5-ene
CID 14363721
(z)-5-Chlorodec-5-ene
CID 88827875
4-Octene, 4-chloro-, (Z)-
CID 5463484
(E)-4-Chloro-4-octene
CID 12500609
(3E)-2-chloro-1-ethenyl-3-ethylidenecyclohexene
CID 18737557
(E)-6-chloro-3-methylhex-2-ene
CID 21338183

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methyl-3-methylideneocta-1,6-diene?
The IUPAC name of 2-chloro-7-methyl-3-methylideneocta-1,6-diene (CID 23247410) is 2-chloro-7-methyl-3-methylideneocta-1,6-diene.
What is the SMILES notation for 2-chloro-7-methyl-3-methylideneocta-1,6-diene?
The canonical SMILES for 2-chloro-7-methyl-3-methylideneocta-1,6-diene is C=C(Cl)C(=C)CCC=C(C)C.
What is the InChIKey of 2-chloro-7-methyl-3-methylideneocta-1,6-diene?
The InChIKey is FFNJBTUAEWDYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl/c1-8(2)6-5-7-9(3)10(4)11/h6H,3-5,7H2,1-2H3.
What are the key properties of 2-chloro-7-methyl-3-methylideneocta-1,6-diene?
2-chloro-7-methyl-3-methylideneocta-1,6-diene has a molecular weight of 170.68 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methyl-3-methylideneocta-1,6-diene is sourced from PubChem (CID 23247410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).