(E)-5,5-dimethyl-4-methylidenehex-2-ene

C9H16 — CID 12586170

IUPAC(E)-5,5-dimethyl-4-methylidenehex-2-ene
SMILESC=C(/C=C/C)C(C)(C)C
InChIInChI=1S/C9H16/c1-6-7-8(2)9(3,4)5/h6-7H,2H2,1,3-5H3/b7-6+
InChIKeyBKUYWZFLQXSZHU-VOTSOKGWSA-N
MW124.23 g/mol
LogP3.16
Rot. Bonds1

About (E)-5,5-dimethyl-4-methylidenehex-2-ene

(E)-5,5-dimethyl-4-methylidenehex-2-ene (PubChem CID 12586170) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (E)-5,5-dimethyl-4-methylidenehex-2-ene.

Molecular Properties

Compound Name(E)-5,5-dimethyl-4-methylidenehex-2-ene
PubChem CID12586170
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(E)-5,5-dimethyl-4-methylidenehex-2-ene
SMILESC=C(/C=C/C)C(C)(C)C
InChIInChI=1S/C9H16/c1-6-7-8(2)9(3,4)5/h6-7H,2H2,1,3-5H3/b7-6+
InChIKeyBKUYWZFLQXSZHU-VOTSOKGWSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.16
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 (E)-5,5-dimethyl-4-methylidenehex-2-ene?
The IUPAC name of (E)-5,5-dimethyl-4-methylidenehex-2-ene (CID 12586170) is (E)-5,5-dimethyl-4-methylidenehex-2-ene.
What is the SMILES notation for (E)-5,5-dimethyl-4-methylidenehex-2-ene?
The canonical SMILES for (E)-5,5-dimethyl-4-methylidenehex-2-ene is C=C(/C=C/C)C(C)(C)C.
What is the InChIKey of (E)-5,5-dimethyl-4-methylidenehex-2-ene?
The InChIKey is BKUYWZFLQXSZHU-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H16/c1-6-7-8(2)9(3,4)5/h6-7H,2H2,1,3-5H3/b7-6+.
What are the key properties of (E)-5,5-dimethyl-4-methylidenehex-2-ene?
(E)-5,5-dimethyl-4-methylidenehex-2-ene has a molecular weight of 124.23 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5-dimethyl-4-methylidenehex-2-ene is sourced from PubChem (CID 12586170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).