2,8-dimethyl-7-methylidenenona-1,8-dien-3-yne

C12H16 — CID 589284

IUPAC2,8-dimethyl-7-methylidenenona-1,8-dien-3-yne
SMILESC=C(C)C#CCCC(=C)C(=C)C
InChIInChI=1S/C12H16/c1-10(2)8-6-7-9-12(5)11(3)4/h1,3,5,7,9H2,2,4H3
InChIKeyFVOVUQVOSVRSAT-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.48
Rot. Bonds3

About 2,8-dimethyl-7-methylidenenona-1,8-dien-3-yne

2,8-dimethyl-7-methylidenenona-1,8-dien-3-yne (PubChem CID 589284) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2,8-dimethyl-7-methylidenenona-1,8-dien-3-yne.

Molecular Properties

Compound Name2,8-dimethyl-7-methylidenenona-1,8-dien-3-yne
PubChem CID589284
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name2,8-dimethyl-7-methylidenenona-1,8-dien-3-yne
SMILESC=C(C)C#CCCC(=C)C(=C)C
InChIInChI=1S/C12H16/c1-10(2)8-6-7-9-12(5)11(3)4/h1,3,5,7,9H2,2,4H3
InChIKeyFVOVUQVOSVRSAT-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-7-methylidenenona-1,8-dien-3-yne?
The IUPAC name of 2,8-dimethyl-7-methylidenenona-1,8-dien-3-yne (CID 589284) is 2,8-dimethyl-7-methylidenenona-1,8-dien-3-yne.
What is the SMILES notation for 2,8-dimethyl-7-methylidenenona-1,8-dien-3-yne?
The canonical SMILES for 2,8-dimethyl-7-methylidenenona-1,8-dien-3-yne is C=C(C)C#CCCC(=C)C(=C)C.
What is the InChIKey of 2,8-dimethyl-7-methylidenenona-1,8-dien-3-yne?
The InChIKey is FVOVUQVOSVRSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-10(2)8-6-7-9-12(5)11(3)4/h1,3,5,7,9H2,2,4H3.
What are the key properties of 2,8-dimethyl-7-methylidenenona-1,8-dien-3-yne?
2,8-dimethyl-7-methylidenenona-1,8-dien-3-yne has a molecular weight of 160.26 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-7-methylidenenona-1,8-dien-3-yne is sourced from PubChem (CID 589284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).