(3Z)-7-methylocta-3,5,6-trien-1-yne

C9H10 — CID 10749163

IUPAC(3Z)-7-methylocta-3,5,6-trien-1-yne
SMILESC#C/C=C\C=C=C(C)C
InChIInChI=1S/C9H10/c1-4-5-6-7-8-9(2)3/h1,5-7H,2-3H3/b6-5-
InChIKeyRTFMKHNBHVGQSN-WAYWQWQTSA-N
MW118.18 g/mol
LogP2.30
Rot. Bonds1

About (3Z)-7-methylocta-3,5,6-trien-1-yne

(3Z)-7-methylocta-3,5,6-trien-1-yne (PubChem CID 10749163) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is (3Z)-7-methylocta-3,5,6-trien-1-yne.

Molecular Properties

Compound Name(3Z)-7-methylocta-3,5,6-trien-1-yne
PubChem CID10749163
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name(3Z)-7-methylocta-3,5,6-trien-1-yne
SMILESC#C/C=C\C=C=C(C)C
InChIInChI=1S/C9H10/c1-4-5-6-7-8-9(2)3/h1,5-7H,2-3H3/b6-5-
InChIKeyRTFMKHNBHVGQSN-WAYWQWQTSA-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'}

Analyze (3Z)-7-methylocta-3,5,6-trien-1-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3E,5E)-trideca-1,3,5-trien-7,9,11-triyne
CID 5322029
1,3,5,11-Tridecatetraene-7,9-diyne, (E,E,E)-
CID 5352698
(Z)-1,3-Tridecadiene-5,7,9,11-tetrayne
CID 5352699
trans,trans-1,3,11-Tridecatriene-5,7,9-triyne
CID 5322028
1,3(E),5(Z),11(E)-Tridecatetraen-7,9-diyne
CID 5352702
1,3,11-Tridecatriene-5,7,9-triyne, (Z,E)-
CID 5352706
(Z,Z)-1,3,11-Tridecatriene-5,7,9-triyne
CID 5352708
1,3,11-Tridecatriene-5,7,9-triyne
CID 180274
7-Chloro-2-(4-chlorophenyl)-3-methylquinoline
CID 5352707
3,6-Bis[trichloromethyl]pyridazine
CID 131752453
(3E,11Z)-trideca-1,3,11-trien-5,7,9-triyne
CID 6442567
(E,Z)-1,3,5-Tridecatriene-7,9,11-triyne
CID 5352700

Frequently Asked Questions

What is the IUPAC name of (3Z)-7-methylocta-3,5,6-trien-1-yne?
The IUPAC name of (3Z)-7-methylocta-3,5,6-trien-1-yne (CID 10749163) is (3Z)-7-methylocta-3,5,6-trien-1-yne.
What is the SMILES notation for (3Z)-7-methylocta-3,5,6-trien-1-yne?
The canonical SMILES for (3Z)-7-methylocta-3,5,6-trien-1-yne is C#C/C=C\C=C=C(C)C.
What is the InChIKey of (3Z)-7-methylocta-3,5,6-trien-1-yne?
The InChIKey is RTFMKHNBHVGQSN-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H10/c1-4-5-6-7-8-9(2)3/h1,5-7H,2-3H3/b6-5-.
What are the key properties of (3Z)-7-methylocta-3,5,6-trien-1-yne?
(3Z)-7-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)-7-methylocta-3,5,6-trien-1-yne is sourced from PubChem (CID 10749163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).