(5Z)-5-(iodomethylidene)oct-1-en-6-yne

C9H11I — CID 15778096

IUPAC(5Z)-5-(iodomethylidene)oct-1-en-6-yne
SMILESC=CCC/C(C#CC)=C/I
InChIInChI=1S/C9H11I/c1-3-5-7-9(8-10)6-4-2/h3,8H,1,5,7H2,2H3/b9-8+
InChIKeyOVIWQEZPRPSMTC-CMDGGOBGSA-N
MW246.09 g/mol
LogP3.29
Rot. Bonds3

About (5Z)-5-(iodomethylidene)oct-1-en-6-yne

(5Z)-5-(iodomethylidene)oct-1-en-6-yne (PubChem CID 15778096) has the molecular formula C9H11I and a molecular weight of 246.09 g/mol. Its IUPAC name is (5Z)-5-(iodomethylidene)oct-1-en-6-yne.

Molecular Properties

Compound Name(5Z)-5-(iodomethylidene)oct-1-en-6-yne
PubChem CID15778096
Molecular FormulaC9H11I
Molecular Weight246.09 g/mol
Exact Mass245.99
IUPAC Name(5Z)-5-(iodomethylidene)oct-1-en-6-yne
SMILESC=CCC/C(C#CC)=C/I
InChIInChI=1S/C9H11I/c1-3-5-7-9(8-10)6-4-2/h3,8H,1,5,7H2,2H3/b9-8+
InChIKeyOVIWQEZPRPSMTC-CMDGGOBGSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-Iodohept-1-en-6-yne
CID 90091460
2-Methylnona-1,8-dien-3-yne
CID 10986278
(7Z)-7-(iodomethylidene)undec-5-yne
CID 11022592
10-Iododec-1-en-6-yne
CID 14041165
1-Iodo-3-methylocta-1,2,7-triene
CID 71396037
(E,3R)-1-iodo-3-methylhept-1-en-5-yne
CID 59125861
1-Iodo-2-methylhexa-1,5-diene
CID 85540047
11-Methyldodeca-1,11-dien-3,5,7-triyne
CID 123755544
(4Z)-4-(iodomethylidene)hept-2-yne
CID 10799663
2-Methylocta-1,7-dien-3-yne
CID 13214144
8-Iodooct-1-en-7-yne
CID 15877507

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(iodomethylidene)oct-1-en-6-yne?
The IUPAC name of (5Z)-5-(iodomethylidene)oct-1-en-6-yne (CID 15778096) is (5Z)-5-(iodomethylidene)oct-1-en-6-yne.
What is the SMILES notation for (5Z)-5-(iodomethylidene)oct-1-en-6-yne?
The canonical SMILES for (5Z)-5-(iodomethylidene)oct-1-en-6-yne is C=CCC/C(C#CC)=C/I.
What is the InChIKey of (5Z)-5-(iodomethylidene)oct-1-en-6-yne?
The InChIKey is OVIWQEZPRPSMTC-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H11I/c1-3-5-7-9(8-10)6-4-2/h3,8H,1,5,7H2,2H3/b9-8+.
What are the key properties of (5Z)-5-(iodomethylidene)oct-1-en-6-yne?
(5Z)-5-(iodomethylidene)oct-1-en-6-yne has a molecular weight of 246.09 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(iodomethylidene)oct-1-en-6-yne is sourced from PubChem (CID 15778096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).