(5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene

C18H24 — CID 10263693

IUPAC(5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene
SMILESC=CCCCCC=C=C/C=C(\C#CC)CCC=C
InChIInChI=1S/C18H24/c1-4-7-9-10-11-12-13-14-17-18(15-6-3)16-8-5-2/h4-5,12,14,17H,1-2,7-11,16H2,3H3/b18-17+
InChIKeyCXHKQNFKZTTZSV-ISLYRVAYSA-N
MW240.39 g/mol
LogP5.36
Rot. Bonds9

About (5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene

(5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene (PubChem CID 10263693) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is (5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene.

Molecular Properties

Compound Name(5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene
PubChem CID10263693
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name(5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene
SMILESC=CCCCCC=C=C/C=C(\C#CC)CCC=C
InChIInChI=1S/C18H24/c1-4-7-9-10-11-12-13-14-17-18(15-6-3)16-8-5-2/h4-5,12,14,17H,1-2,7-11,16H2,3H3/b18-17+
InChIKeyCXHKQNFKZTTZSV-ISLYRVAYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.39
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene?
The IUPAC name of (5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene (CID 10263693) is (5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene.
What is the SMILES notation for (5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene?
The canonical SMILES for (5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene is C=CCCCCC=C=C/C=C(\C#CC)CCC=C.
What is the InChIKey of (5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene?
The InChIKey is CXHKQNFKZTTZSV-ISLYRVAYSA-N. The full InChI is InChI=1S/C18H24/c1-4-7-9-10-11-12-13-14-17-18(15-6-3)16-8-5-2/h4-5,12,14,17H,1-2,7-11,16H2,3H3/b18-17+.
What are the key properties of (5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene?
(5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene has a molecular weight of 240.39 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-prop-1-ynylpentadeca-1,5,7,8,14-pentaene is sourced from PubChem (CID 10263693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).