(Z)-heptadec-8-en-6-yne

C17H30 — CID 101260338

IUPAC(Z)-heptadec-8-en-6-yne
SMILESCCCCCC#C/C=C\CCCCCCCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h16-17H,3-11,13,15H2,1-2H3/b17-16-
InChIKeyUIVYLWMOQHFKIA-MSUUIHNZSA-N
MW234.43 g/mol
LogP5.88
Rot. Bonds10

About (Z)-heptadec-8-en-6-yne

(Z)-heptadec-8-en-6-yne (PubChem CID 101260338) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is (Z)-heptadec-8-en-6-yne.

Molecular Properties

Compound Name(Z)-heptadec-8-en-6-yne
PubChem CID101260338
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name(Z)-heptadec-8-en-6-yne
SMILESCCCCCC#C/C=C\CCCCCCCC
InChIInChI=1S/C17H30/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h16-17H,3-11,13,15H2,1-2H3/b17-16-
InChIKeyUIVYLWMOQHFKIA-MSUUIHNZSA-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)-tridec-4-en-6-yn-1-ol
CID 15420486
(E)-octadec-7-en-9,11-diyne
CID 101092836
(Z)-heptadec-3-en-5-yne
CID 5367448
(E)-undec-3-en-5-yne
CID 5367449
methyl (Z)-octadec-9-en-11-ynoate
CID 59455308
dec-2-en-4-yne
CID 54142868
(E)-1-pyrrolidin-1-ylhexacos-19-en-17-yn-1-one
CID 91695427
(Z)-1-chlorodec-1-en-3-yne
CID 124646971
heptacos-3-en-1,8,14,20-tetrayne
CID 163086579
1-iodonon-1-en-3-yne
CID 71425479
(Z)-pentadec-6-en-9-yne
CID 10703505
trimethyl-[(E)-tetradec-3-en-1-ynyl]silane
CID 14615393

Frequently Asked Questions

What is the IUPAC name of (Z)-heptadec-8-en-6-yne?
The IUPAC name of (Z)-heptadec-8-en-6-yne (CID 101260338) is (Z)-heptadec-8-en-6-yne.
What is the SMILES notation for (Z)-heptadec-8-en-6-yne?
The canonical SMILES for (Z)-heptadec-8-en-6-yne is CCCCCC#C/C=C\CCCCCCCC.
What is the InChIKey of (Z)-heptadec-8-en-6-yne?
The InChIKey is UIVYLWMOQHFKIA-MSUUIHNZSA-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/h16-17H,3-11,13,15H2,1-2H3/b17-16-.
What are the key properties of (Z)-heptadec-8-en-6-yne?
(Z)-heptadec-8-en-6-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-8-en-6-yne is sourced from PubChem (CID 101260338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).