7-methyl-5-methylideneocta-1,3-diene

C10H16 — CID 123347446

IUPAC7-methyl-5-methylideneocta-1,3-diene
SMILESC=CC=CC(=C)CC(C)C
InChIInChI=1S/C10H16/c1-5-6-7-10(4)8-9(2)3/h5-7,9H,1,4,8H2,2-3H3
InChIKeyKNYJVIYCWCYHCO-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.33
Rot. Bonds4

About 7-methyl-5-methylideneocta-1,3-diene

7-methyl-5-methylideneocta-1,3-diene (PubChem CID 123347446) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 7-methyl-5-methylideneocta-1,3-diene.

Molecular Properties

Compound Name7-methyl-5-methylideneocta-1,3-diene
PubChem CID123347446
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name7-methyl-5-methylideneocta-1,3-diene
SMILESC=CC=CC(=C)CC(C)C
InChIInChI=1S/C10H16/c1-5-6-7-10(4)8-9(2)3/h5-7,9H,1,4,8H2,2-3H3
InChIKeyKNYJVIYCWCYHCO-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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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Related Compounds

(3Z)-8-methyl-5-methylidenenona-1,3-diene
CID 143490392
(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
CID 143096583
(2S,5Z)-2-amino-4-methylideneocta-5,7-dienoic acid
CID 162530596
(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 142221683
(3Z,5E)-6,8-dimethylnona-1,3,5-triene
CID 174045679
ethane;(3Z)-2-(methoxymethyl)hexa-1,3,5-triene
CID 143500367
(2E,4Z)-8-methyl-6-methylidene-N-prop-1-en-2-ylnona-2,4-dien-3-amine
CID 155374255
(3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane
CID 145049129
N-[(1Z)-buta-1,3-dienyl]-4-methylpentan-2-imine
CID 129029808
6-bromo-5-methylidenehepta-1,3-diene
CID 123730228
methane;(3Z)-5-methylidenedeca-1,3-diene
CID 142806939
ethane;(3Z)-6-methyl-5-methylideneocta-1,3-diene;hydroiodide
CID 143199544

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-methylideneocta-1,3-diene?
The IUPAC name of 7-methyl-5-methylideneocta-1,3-diene (CID 123347446) is 7-methyl-5-methylideneocta-1,3-diene.
What is the SMILES notation for 7-methyl-5-methylideneocta-1,3-diene?
The canonical SMILES for 7-methyl-5-methylideneocta-1,3-diene is C=CC=CC(=C)CC(C)C.
What is the InChIKey of 7-methyl-5-methylideneocta-1,3-diene?
The InChIKey is KNYJVIYCWCYHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-5-6-7-10(4)8-9(2)3/h5-7,9H,1,4,8H2,2-3H3.
What are the key properties of 7-methyl-5-methylideneocta-1,3-diene?
7-methyl-5-methylideneocta-1,3-diene has a molecular weight of 136.24 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-methylideneocta-1,3-diene is sourced from PubChem (CID 123347446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).