6,6-dimethyl-5-methylidenehepta-1,3-diene

C10H16 — CID 72571250

IUPAC6,6-dimethyl-5-methylidenehepta-1,3-diene
SMILESC=CC=CC(=C)C(C)(C)C
InChIInChI=1S/C10H16/c1-6-7-8-9(2)10(3,4)5/h6-8H,1-2H2,3-5H3
InChIKeyTWJKFQAEQYWEGN-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.33
Rot. Bonds2

About 6,6-dimethyl-5-methylidenehepta-1,3-diene

6,6-dimethyl-5-methylidenehepta-1,3-diene (PubChem CID 72571250) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 6,6-dimethyl-5-methylidenehepta-1,3-diene.

Molecular Properties

Compound Name6,6-dimethyl-5-methylidenehepta-1,3-diene
PubChem CID72571250
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name6,6-dimethyl-5-methylidenehepta-1,3-diene
SMILESC=CC=CC(=C)C(C)(C)C
InChIInChI=1S/C10H16/c1-6-7-8-9(2)10(3,4)5/h6-8H,1-2H2,3-5H3
InChIKeyTWJKFQAEQYWEGN-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 6,6-dimethyl-5-methylidenehepta-1,3-diene?
The IUPAC name of 6,6-dimethyl-5-methylidenehepta-1,3-diene (CID 72571250) is 6,6-dimethyl-5-methylidenehepta-1,3-diene.
What is the SMILES notation for 6,6-dimethyl-5-methylidenehepta-1,3-diene?
The canonical SMILES for 6,6-dimethyl-5-methylidenehepta-1,3-diene is C=CC=CC(=C)C(C)(C)C.
What is the InChIKey of 6,6-dimethyl-5-methylidenehepta-1,3-diene?
The InChIKey is TWJKFQAEQYWEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-6-7-8-9(2)10(3,4)5/h6-8H,1-2H2,3-5H3.
What are the key properties of 6,6-dimethyl-5-methylidenehepta-1,3-diene?
6,6-dimethyl-5-methylidenehepta-1,3-diene has a molecular weight of 136.24 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5-methylidenehepta-1,3-diene is sourced from PubChem (CID 72571250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).