(Z)-hexadec-5-en-9-yne;hydrobromide

C16H29Br — CID 88713711

IUPAC(Z)-hexadec-5-en-9-yne;hydrobromide
SMILESBr.CCCC/C=C\CCC#CCCCCCC
InChIInChI=1S/C16H28.BrH/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;/h9,11H,3-8,10,12-13,15H2,1-2H3;1H/b11-9-;
InChIKeyUCETXYXFMLNCKM-KSIDEHCFSA-N
MW301.31 g/mol
LogP6.06
Rot. Bonds9

About (Z)-hexadec-5-en-9-yne;hydrobromide

(Z)-hexadec-5-en-9-yne;hydrobromide (PubChem CID 88713711) has the molecular formula C16H29Br and a molecular weight of 301.31 g/mol. Its IUPAC name is (Z)-hexadec-5-en-9-yne;hydrobromide.

Molecular Properties

Compound Name(Z)-hexadec-5-en-9-yne;hydrobromide
PubChem CID88713711
Molecular FormulaC16H29Br
Molecular Weight301.31 g/mol
Exact Mass300.15
IUPAC Name(Z)-hexadec-5-en-9-yne;hydrobromide
SMILESBr.CCCC/C=C\CCC#CCCCCCC
InChIInChI=1S/C16H28.BrH/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;/h9,11H,3-8,10,12-13,15H2,1-2H3;1H/b11-9-;
InChIKeyUCETXYXFMLNCKM-KSIDEHCFSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.31
LogP ≤ 56.06
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-pentadec-6-en-9-yne
CID 10703505
henicos-8-yne
CID 22224321
trimethyl-[(E)-tetradec-2-en-7-ynyl]silane
CID 102119470
pentadec-4-ynal
CID 15530597
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
dec-5-ene;trihydrobromide
CID 175802238
methyl (Z)-octadec-7-en-11-ynoate
CID 131856280
(E)-tridec-4-en-7-yn-1-ol
CID 6437422
heptacos-3-en-1,8,14,20-tetrayne
CID 163086579
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888

Frequently Asked Questions

What is the IUPAC name of (Z)-hexadec-5-en-9-yne;hydrobromide?
The IUPAC name of (Z)-hexadec-5-en-9-yne;hydrobromide (CID 88713711) is (Z)-hexadec-5-en-9-yne;hydrobromide.
What is the SMILES notation for (Z)-hexadec-5-en-9-yne;hydrobromide?
The canonical SMILES for (Z)-hexadec-5-en-9-yne;hydrobromide is Br.CCCC/C=C\CCC#CCCCCCC.
What is the InChIKey of (Z)-hexadec-5-en-9-yne;hydrobromide?
The InChIKey is UCETXYXFMLNCKM-KSIDEHCFSA-N. The full InChI is InChI=1S/C16H28.BrH/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;/h9,11H,3-8,10,12-13,15H2,1-2H3;1H/b11-9-;.
What are the key properties of (Z)-hexadec-5-en-9-yne;hydrobromide?
(Z)-hexadec-5-en-9-yne;hydrobromide has a molecular weight of 301.31 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hexadec-5-en-9-yne;hydrobromide is sourced from PubChem (CID 88713711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).