2-methyl-4-methylideneocta-1,7-diene

C10H16 — CID 140752999

IUPAC2-methyl-4-methylideneocta-1,7-diene
SMILESC=CCCC(=C)CC(=C)C
InChIInChI=1S/C10H16/c1-5-6-7-10(4)8-9(2)3/h5H,1-2,4,6-8H2,3H3
InChIKeyRIMRFEBWXKPQBO-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.47
Rot. Bonds5

About 2-methyl-4-methylideneocta-1,7-diene

2-methyl-4-methylideneocta-1,7-diene (PubChem CID 140752999) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 2-methyl-4-methylideneocta-1,7-diene.

Molecular Properties

Compound Name2-methyl-4-methylideneocta-1,7-diene
PubChem CID140752999
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name2-methyl-4-methylideneocta-1,7-diene
SMILESC=CCCC(=C)CC(=C)C
InChIInChI=1S/C10H16/c1-5-6-7-10(4)8-9(2)3/h5H,1-2,4,6-8H2,3H3
InChIKeyRIMRFEBWXKPQBO-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylideneocta-1,7-diene?
The IUPAC name of 2-methyl-4-methylideneocta-1,7-diene (CID 140752999) is 2-methyl-4-methylideneocta-1,7-diene.
What is the SMILES notation for 2-methyl-4-methylideneocta-1,7-diene?
The canonical SMILES for 2-methyl-4-methylideneocta-1,7-diene is C=CCCC(=C)CC(=C)C.
What is the InChIKey of 2-methyl-4-methylideneocta-1,7-diene?
The InChIKey is RIMRFEBWXKPQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-5-6-7-10(4)8-9(2)3/h5H,1-2,4,6-8H2,3H3.
What are the key properties of 2-methyl-4-methylideneocta-1,7-diene?
2-methyl-4-methylideneocta-1,7-diene has a molecular weight of 136.24 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylideneocta-1,7-diene is sourced from PubChem (CID 140752999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).