(3Z,9Z)-2-methyl-5,8,11-trimethylidenepentadeca-1,3,9,14-tetraen-6-yne

C19H22 — CID 145154524

IUPAC(3Z,9Z)-2-methyl-5,8,11-trimethylidenepentadeca-1,3,9,14-tetraen-6-yne
SMILESC=CCCC(=C)/C=C\C(=C)C#CC(=C)/C=C\C(=C)C
InChIInChI=1S/C19H22/c1-7-8-9-17(4)12-13-19(6)15-14-18(5)11-10-16(2)3/h7,10-13H,1-2,4-6,8-9H2,3H3/b11-10-,13-12-
InChIKeyYFPQPPQOBDNFME-FQEMRORKSA-N
MW250.38 g/mol
LogP5.31
Rot. Bonds7

About (3Z,9Z)-2-methyl-5,8,11-trimethylidenepentadeca-1,3,9,14-tetraen-6-yne

(3Z,9Z)-2-methyl-5,8,11-trimethylidenepentadeca-1,3,9,14-tetraen-6-yne (PubChem CID 145154524) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is (3Z,9Z)-2-methyl-5,8,11-trimethylidenepentadeca-1,3,9,14-tetraen-6-yne.

Molecular Properties

Compound Name(3Z,9Z)-2-methyl-5,8,11-trimethylidenepentadeca-1,3,9,14-tetraen-6-yne
PubChem CID145154524
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name(3Z,9Z)-2-methyl-5,8,11-trimethylidenepentadeca-1,3,9,14-tetraen-6-yne
SMILESC=CCCC(=C)/C=C\C(=C)C#CC(=C)/C=C\C(=C)C
InChIInChI=1S/C19H22/c1-7-8-9-17(4)12-13-19(6)15-14-18(5)11-10-16(2)3/h7,10-13H,1-2,4-6,8-9H2,3H3/b11-10-,13-12-
InChIKeyYFPQPPQOBDNFME-FQEMRORKSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,9Z)-2-methyl-5,8,11-trimethylidenepentadeca-1,3,9,14-tetraen-6-yne?
The IUPAC name of (3Z,9Z)-2-methyl-5,8,11-trimethylidenepentadeca-1,3,9,14-tetraen-6-yne (CID 145154524) is (3Z,9Z)-2-methyl-5,8,11-trimethylidenepentadeca-1,3,9,14-tetraen-6-yne.
What is the SMILES notation for (3Z,9Z)-2-methyl-5,8,11-trimethylidenepentadeca-1,3,9,14-tetraen-6-yne?
The canonical SMILES for (3Z,9Z)-2-methyl-5,8,11-trimethylidenepentadeca-1,3,9,14-tetraen-6-yne is C=CCCC(=C)/C=C\C(=C)C#CC(=C)/C=C\C(=C)C.
What is the InChIKey of (3Z,9Z)-2-methyl-5,8,11-trimethylidenepentadeca-1,3,9,14-tetraen-6-yne?
The InChIKey is YFPQPPQOBDNFME-FQEMRORKSA-N. The full InChI is InChI=1S/C19H22/c1-7-8-9-17(4)12-13-19(6)15-14-18(5)11-10-16(2)3/h7,10-13H,1-2,4-6,8-9H2,3H3/b11-10-,13-12-.
What are the key properties of (3Z,9Z)-2-methyl-5,8,11-trimethylidenepentadeca-1,3,9,14-tetraen-6-yne?
(3Z,9Z)-2-methyl-5,8,11-trimethylidenepentadeca-1,3,9,14-tetraen-6-yne has a molecular weight of 250.38 g/mol, XLogP of 5.31, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,9Z)-2-methyl-5,8,11-trimethylidenepentadeca-1,3,9,14-tetraen-6-yne is sourced from PubChem (CID 145154524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).