7-methyl-4-methylideneocta-2,5-diene

C10H16 — CID 123740192

IUPAC7-methyl-4-methylideneocta-2,5-diene
SMILESC=C(C=CC)C=CC(C)C
InChIInChI=1S/C10H16/c1-5-6-10(4)8-7-9(2)3/h5-9H,4H2,1-3H3
InChIKeyLALIQFUNTNHGIW-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.33
Rot. Bonds3

About 7-methyl-4-methylideneocta-2,5-diene

7-methyl-4-methylideneocta-2,5-diene (PubChem CID 123740192) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 7-methyl-4-methylideneocta-2,5-diene.

Molecular Properties

Compound Name7-methyl-4-methylideneocta-2,5-diene
PubChem CID123740192
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name7-methyl-4-methylideneocta-2,5-diene
SMILESC=C(C=CC)C=CC(C)C
InChIInChI=1S/C10H16/c1-5-6-10(4)8-7-9(2)3/h5-9H,4H2,1-3H3
InChIKeyLALIQFUNTNHGIW-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-methylideneocta-2,5-diene?
The IUPAC name of 7-methyl-4-methylideneocta-2,5-diene (CID 123740192) is 7-methyl-4-methylideneocta-2,5-diene.
What is the SMILES notation for 7-methyl-4-methylideneocta-2,5-diene?
The canonical SMILES for 7-methyl-4-methylideneocta-2,5-diene is C=C(C=CC)C=CC(C)C.
What is the InChIKey of 7-methyl-4-methylideneocta-2,5-diene?
The InChIKey is LALIQFUNTNHGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-5-6-10(4)8-7-9(2)3/h5-9H,4H2,1-3H3.
What are the key properties of 7-methyl-4-methylideneocta-2,5-diene?
7-methyl-4-methylideneocta-2,5-diene has a molecular weight of 136.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-methylideneocta-2,5-diene is sourced from PubChem (CID 123740192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).