(3Z)-2,7-dimethylocta-1,3,7-trien-5-yne

C10H12 — CID 91999096

IUPAC(3Z)-2,7-dimethylocta-1,3,7-trien-5-yne
SMILESC=C(C)C#C/C=C\C(=C)C
InChIInChI=1S/C10H12/c1-9(2)7-5-6-8-10(3)4/h5,7H,1,3H2,2,4H3/b7-5-
InChIKeyFOYBSZFNGFTKSB-ALCCZGGFSA-N
MW132.21 g/mol
LogP2.70
Rot. Bonds1

About (3Z)-2,7-dimethylocta-1,3,7-trien-5-yne

(3Z)-2,7-dimethylocta-1,3,7-trien-5-yne (PubChem CID 91999096) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is (3Z)-2,7-dimethylocta-1,3,7-trien-5-yne.

Molecular Properties

Compound Name(3Z)-2,7-dimethylocta-1,3,7-trien-5-yne
PubChem CID91999096
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name(3Z)-2,7-dimethylocta-1,3,7-trien-5-yne
SMILESC=C(C)C#C/C=C\C(=C)C
InChIInChI=1S/C10H12/c1-9(2)7-5-6-8-10(3)4/h5,7H,1,3H2,2,4H3/b7-5-
InChIKeyFOYBSZFNGFTKSB-ALCCZGGFSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.70
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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Related Compounds

trans-Alloocimene
CID 5368821
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
2,6-Dimethylocta-2,4,6-triene
CID 12658
2,4-Hexadiene, 3-methyl-
CID 5367612
1,3-Pentadiene, 2-methyl-
CID 14238
Dimethylhexadiene
CID 6365525
1,3-Cyclopentadiene, 5-(1-methylethylidene)-
CID 137467
Alloocimene, (4E,6Z)-
CID 5371125
(3E)-2-Methyl-1,3-pentadiene
CID 638070
Cosmene
CID 5368451

Frequently Asked Questions

What is the IUPAC name of (3Z)-2,7-dimethylocta-1,3,7-trien-5-yne?
The IUPAC name of (3Z)-2,7-dimethylocta-1,3,7-trien-5-yne (CID 91999096) is (3Z)-2,7-dimethylocta-1,3,7-trien-5-yne.
What is the SMILES notation for (3Z)-2,7-dimethylocta-1,3,7-trien-5-yne?
The canonical SMILES for (3Z)-2,7-dimethylocta-1,3,7-trien-5-yne is C=C(C)C#C/C=C\C(=C)C.
What is the InChIKey of (3Z)-2,7-dimethylocta-1,3,7-trien-5-yne?
The InChIKey is FOYBSZFNGFTKSB-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H12/c1-9(2)7-5-6-8-10(3)4/h5,7H,1,3H2,2,4H3/b7-5-.
What are the key properties of (3Z)-2,7-dimethylocta-1,3,7-trien-5-yne?
(3Z)-2,7-dimethylocta-1,3,7-trien-5-yne has a molecular weight of 132.21 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2,7-dimethylocta-1,3,7-trien-5-yne is sourced from PubChem (CID 91999096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).