5,5-dimethyl-4-methylidenehex-2-ene

C9H16 — CID 88727122

IUPAC5,5-dimethyl-4-methylidenehex-2-ene
SMILESC=C(C=CC)C(C)(C)C
InChIInChI=1S/C9H16/c1-6-7-8(2)9(3,4)5/h6-7H,2H2,1,3-5H3
InChIKeyBKUYWZFLQXSZHU-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.16
Rot. Bonds1

About 5,5-dimethyl-4-methylidenehex-2-ene

5,5-dimethyl-4-methylidenehex-2-ene (PubChem CID 88727122) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 5,5-dimethyl-4-methylidenehex-2-ene.

Molecular Properties

Compound Name5,5-dimethyl-4-methylidenehex-2-ene
PubChem CID88727122
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name5,5-dimethyl-4-methylidenehex-2-ene
SMILESC=C(C=CC)C(C)(C)C
InChIInChI=1S/C9H16/c1-6-7-8(2)9(3,4)5/h6-7H,2H2,1,3-5H3
InChIKeyBKUYWZFLQXSZHU-UHFFFAOYSA-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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Related Compounds

trans-Alloocimene
CID 5368821
Humulene
CID 5281520
Farnesene
CID 5281516
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
2,6-Dimethylocta-2,4,6-triene
CID 12658
3,4,4-Trimethyl-2-pentene
CID 11738
(Z,E)-alpha-Farnesene
CID 5362889
(3E)-4,8-dimethyl-1,3,7-nonatriene
CID 6427110
1,3,5,5-Tetramethyl-1,3-cyclohexadiene
CID 78453
alpha-Ocimene
CID 5320249

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-methylidenehex-2-ene?
The IUPAC name of 5,5-dimethyl-4-methylidenehex-2-ene (CID 88727122) is 5,5-dimethyl-4-methylidenehex-2-ene.
What is the SMILES notation for 5,5-dimethyl-4-methylidenehex-2-ene?
The canonical SMILES for 5,5-dimethyl-4-methylidenehex-2-ene is C=C(C=CC)C(C)(C)C.
What is the InChIKey of 5,5-dimethyl-4-methylidenehex-2-ene?
The InChIKey is BKUYWZFLQXSZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-6-7-8(2)9(3,4)5/h6-7H,2H2,1,3-5H3.
What are the key properties of 5,5-dimethyl-4-methylidenehex-2-ene?
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 5,5-dimethyl-4-methylidenehex-2-ene is sourced from PubChem (CID 88727122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).