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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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).