4-methylideneocta-5,6-dien-1-yne

C9H10 — CID 123735846

IUPAC4-methylideneocta-5,6-dien-1-yne
SMILESC#CCC(=C)C=C=CC
InChIInChI=1S/C9H10/c1-4-6-8-9(3)7-5-2/h2,4,8H,3,7H2,1H3
InChIKeyZSWGKWPGTBMDHK-UHFFFAOYSA-N
MW118.18 g/mol
LogP2.30
Rot. Bonds2

About 4-methylideneocta-5,6-dien-1-yne

4-methylideneocta-5,6-dien-1-yne (PubChem CID 123735846) has the molecular formula C9H10 and a molecular weight of 118.18 g/mol. Its IUPAC name is 4-methylideneocta-5,6-dien-1-yne.

Molecular Properties

Compound Name4-methylideneocta-5,6-dien-1-yne
PubChem CID123735846
Molecular FormulaC9H10
Molecular Weight118.18 g/mol
Exact Mass118.08
IUPAC Name4-methylideneocta-5,6-dien-1-yne
SMILESC#CCC(=C)C=C=CC
InChIInChI=1S/C9H10/c1-4-6-8-9(3)7-5-2/h2,4,8H,3,7H2,1H3
InChIKeyZSWGKWPGTBMDHK-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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

6-Methyl-5-hepten-1-yne
CID 519983
(Z)-6-methyloct-5-en-1-yne
CID 10953485
2-Methylhept-1-en-6-yne
CID 10396805
7-Methylocta-5,6-dien-1-yne
CID 91304438
2-Methyl-3-methylidenehept-1-en-5-yne
CID 569164
3-Methylidenehex-1-en-5-yne
CID 13070288
2-Methylnona-1,8-dien-3-yne
CID 10986278
3-Methylideneoct-1-en-7-yne
CID 13757696
(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)-4-methylocta-3,5,6-trien-1-yne
CID 134993608
2,6-Dimethyl-5-methylidenehepta-1,6-dien-3-yne
CID 11309529

Frequently Asked Questions

What is the IUPAC name of 4-methylideneocta-5,6-dien-1-yne?
The IUPAC name of 4-methylideneocta-5,6-dien-1-yne (CID 123735846) is 4-methylideneocta-5,6-dien-1-yne.
What is the SMILES notation for 4-methylideneocta-5,6-dien-1-yne?
The canonical SMILES for 4-methylideneocta-5,6-dien-1-yne is C#CCC(=C)C=C=CC.
What is the InChIKey of 4-methylideneocta-5,6-dien-1-yne?
The InChIKey is ZSWGKWPGTBMDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10/c1-4-6-8-9(3)7-5-2/h2,4,8H,3,7H2,1H3.
What are the key properties of 4-methylideneocta-5,6-dien-1-yne?
4-methylideneocta-5,6-dien-1-yne has a molecular weight of 118.18 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylideneocta-5,6-dien-1-yne is sourced from PubChem (CID 123735846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).