(Z)-heptadec-3-en-5-yne

C17H30 — CID 5367448

IUPAC(Z)-heptadec-3-en-5-yne
SMILESCC/C=C\C#CCCCCCCCCCCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8,10,12-17H2,1-2H3/b7-5-
InChIKeyGVCKROLSPQFVTE-ALCCZGGFSA-N
MW234.43 g/mol
LogP5.88
Rot. Bonds10

About (Z)-heptadec-3-en-5-yne

(Z)-heptadec-3-en-5-yne (PubChem CID 5367448) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is (Z)-heptadec-3-en-5-yne.

Molecular Properties

Compound Name(Z)-heptadec-3-en-5-yne
PubChem CID5367448
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name(Z)-heptadec-3-en-5-yne
SMILESCC/C=C\C#CCCCCCCCCCCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8,10,12-17H2,1-2H3/b7-5-
InChIKeyGVCKROLSPQFVTE-ALCCZGGFSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(E)-undec-3-en-5-yne
CID 5367449
(Z)-heptadec-8-en-6-yne
CID 101260338
10-chlorodec-3-en-5-yne
CID 141439405
(E)-tridec-4-en-6-yn-1-ol
CID 15420486
(Z)-1-chlorodec-1-en-3-yne
CID 124646971
dec-2-en-4-yne
CID 54142868
1-iodonon-1-en-3-yne
CID 71425479
(3Z)-2-methylundeca-1,3-dien-5-yne
CID 102067427
(Z)-tetradec-6-en-4,8-diyn-1-ol
CID 100971906
hexadec-13-en-11-ynyl acetate
CID 73165417
(Z)-1-butylsulfanyldec-1-en-3-yne
CID 102456339
henicos-8-yne
CID 22224321

Frequently Asked Questions

What is the IUPAC name of (Z)-heptadec-3-en-5-yne?
The IUPAC name of (Z)-heptadec-3-en-5-yne (CID 5367448) is (Z)-heptadec-3-en-5-yne.
What is the SMILES notation for (Z)-heptadec-3-en-5-yne?
The canonical SMILES for (Z)-heptadec-3-en-5-yne is CC/C=C\C#CCCCCCCCCCCC.
What is the InChIKey of (Z)-heptadec-3-en-5-yne?
The InChIKey is GVCKROLSPQFVTE-ALCCZGGFSA-N. The full InChI is InChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8,10,12-17H2,1-2H3/b7-5-.
What are the key properties of (Z)-heptadec-3-en-5-yne?
(Z)-heptadec-3-en-5-yne has a molecular weight of 234.43 g/mol, XLogP of 5.88, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-heptadec-3-en-5-yne is sourced from PubChem (CID 5367448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).