(Z)-6-ethyl-7-iodoundec-6-en-4-yne

C13H21I — CID 10756872

IUPAC(Z)-6-ethyl-7-iodoundec-6-en-4-yne
SMILESCCCC#C/C(CC)=C(\I)CCCC
InChIInChI=1S/C13H21I/c1-4-7-9-10-12(6-3)13(14)11-8-5-2/h4-8,11H2,1-3H3/b13-12-
InChIKeyKEKXOTDNKKBNGH-SEYXRHQNSA-N
MW304.22 g/mol
LogP5.08
Rot. Bonds5

About (Z)-6-ethyl-7-iodoundec-6-en-4-yne

(Z)-6-ethyl-7-iodoundec-6-en-4-yne (PubChem CID 10756872) has the molecular formula C13H21I and a molecular weight of 304.22 g/mol. Its IUPAC name is (Z)-6-ethyl-7-iodoundec-6-en-4-yne.

Molecular Properties

Compound Name(Z)-6-ethyl-7-iodoundec-6-en-4-yne
PubChem CID10756872
Molecular FormulaC13H21I
Molecular Weight304.22 g/mol
Exact Mass304.07
IUPAC Name(Z)-6-ethyl-7-iodoundec-6-en-4-yne
SMILESCCCC#C/C(CC)=C(\I)CCCC
InChIInChI=1S/C13H21I/c1-4-7-9-10-12(6-3)13(14)11-8-5-2/h4-8,11H2,1-3H3/b13-12-
InChIKeyKEKXOTDNKKBNGH-SEYXRHQNSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.22
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-6-ethyl-5-iodododec-5-en-7-yne
CID 10471117
(z)-3,4-Dipropylhex-3-ene-1,5-diyne
CID 12585185
6-Pent-1-ynyl-7-propyldodec-6-en-4,8-diyne
CID 13416361
(E)-5,6-dimethylundec-5-en-1,9-diyne
CID 15627593
5,6-Dimethyldec-5-en-1,9-diyne
CID 4412560
5,6-Dimethyl-5-decen-1,9-diyne
CID 6103580
5,6-Dimethyloct-5-en-1-yne
CID 144565165
(Z)-4,5-dimethylnon-4-en-2-yne
CID 160292148
(E)-4-ethynyl-5-methyloct-4-ene
CID 10582941
(Z)-6-iodo-5-(2-iodoethyl)dodec-5-en-7-yne
CID 10718132
3,4-Diethyldec-3-en-5-yne
CID 10750287
(3Z,5Z)-4,5,6-triethyl-3-iodododeca-3,5-dien-7-yne
CID 10981553

Frequently Asked Questions

What is the IUPAC name of (Z)-6-ethyl-7-iodoundec-6-en-4-yne?
The IUPAC name of (Z)-6-ethyl-7-iodoundec-6-en-4-yne (CID 10756872) is (Z)-6-ethyl-7-iodoundec-6-en-4-yne.
What is the SMILES notation for (Z)-6-ethyl-7-iodoundec-6-en-4-yne?
The canonical SMILES for (Z)-6-ethyl-7-iodoundec-6-en-4-yne is CCCC#C/C(CC)=C(\I)CCCC.
What is the InChIKey of (Z)-6-ethyl-7-iodoundec-6-en-4-yne?
The InChIKey is KEKXOTDNKKBNGH-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H21I/c1-4-7-9-10-12(6-3)13(14)11-8-5-2/h4-8,11H2,1-3H3/b13-12-.
What are the key properties of (Z)-6-ethyl-7-iodoundec-6-en-4-yne?
(Z)-6-ethyl-7-iodoundec-6-en-4-yne has a molecular weight of 304.22 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-ethyl-7-iodoundec-6-en-4-yne is sourced from PubChem (CID 10756872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).