(3Z)-4-methylocta-3,5,6-trien-1-yne

C9H10 — CID 134993608

IUPAC(3Z)-4-methylocta-3,5,6-trien-1-yne
SMILESC#C/C=C(/C)C=C=CC
InChIInChI=1S/C9H10/c1-4-6-8-9(3)7-5-2/h2,4,7-8H,1,3H3/b9-7-
InChIKeyNAVGKXSIHZCONZ-CLFYSBASSA-N
MW118.18 g/mol
LogP2.30
Rot. Bonds1

About (3Z)-4-methylocta-3,5,6-trien-1-yne

(3Z)-4-methylocta-3,5,6-trien-1-yne (PubChem CID 134993608) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is (3Z)-4-methylocta-3,5,6-trien-1-yne.

Molecular Properties

Compound Name(3Z)-4-methylocta-3,5,6-trien-1-yne
PubChem CID134993608
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name(3Z)-4-methylocta-3,5,6-trien-1-yne
SMILESC#C/C=C(/C)C=C=CC
InChIInChI=1S/C9H10/c1-4-6-8-9(3)7-5-2/h2,4,7-8H,1,3H3/b9-7-
InChIKeyNAVGKXSIHZCONZ-CLFYSBASSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.18
LogP ≤ 52.30
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

2-Methylhexa-1,3-dien-5-yne
CID 91427979
(3E,5E)-3-fluoro-6-methylocta-3,5-dien-1-yne
CID 141916446
(3Z,5E)-3-ethynyl-5-fluorohepta-1,3,5-triene
CID 167021732
3-Ethylidene-2-methyl-1-hexen-4-yne
CID 534155
(3Z)-7-methylocta-3,5,6-trien-1-yne
CID 10749163
(5E)-2,5-dimethylhepta-2,3,5-triene
CID 12465810
3,4-Diethynylhexa-1,3,5-triene
CID 91477623
(3Z)-3,4,7-trimethylocta-3,5,6-trien-1-yne
CID 134977984
(3Z)-4,7-dimethylocta-3,5,6-trien-1-yne
CID 134993314
(3Z)-3,7-dimethylocta-3,5,6-trien-1-yne
CID 134993465
(3E)-4-fluoro-6-methylhepta-3,5-dien-1-yne
CID 143227850
(3E)-3-fluoro-6-methylhepta-3,5-dien-1-yne
CID 144535313

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-methylocta-3,5,6-trien-1-yne?
The IUPAC name of (3Z)-4-methylocta-3,5,6-trien-1-yne (CID 134993608) is (3Z)-4-methylocta-3,5,6-trien-1-yne.
What is the SMILES notation for (3Z)-4-methylocta-3,5,6-trien-1-yne?
The canonical SMILES for (3Z)-4-methylocta-3,5,6-trien-1-yne is C#C/C=C(/C)C=C=CC.
What is the InChIKey of (3Z)-4-methylocta-3,5,6-trien-1-yne?
The InChIKey is NAVGKXSIHZCONZ-CLFYSBASSA-N. The full InChI is InChI=1S/C9H10/c1-4-6-8-9(3)7-5-2/h2,4,7-8H,1,3H3/b9-7-.
What are the key properties of (3Z)-4-methylocta-3,5,6-trien-1-yne?
(3Z)-4-methylocta-3,5,6-trien-1-yne has a molecular weight of 118.18 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-methylocta-3,5,6-trien-1-yne is sourced from PubChem (CID 134993608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).