(4Z)-4-(iodomethylidene)hept-2-yne

C8H11I — CID 10799663

IUPAC(4Z)-4-(iodomethylidene)hept-2-yne
SMILESCC#C/C(=C\I)CCC
InChIInChI=1S/C8H11I/c1-3-5-8(7-9)6-4-2/h7H,3,5H2,1-2H3/b8-7-
InChIKeyUYBDGMFMAHVOLN-FPLPWBNLSA-N
MW234.08 g/mol
LogP3.13
Rot. Bonds2

About (4Z)-4-(iodomethylidene)hept-2-yne

(4Z)-4-(iodomethylidene)hept-2-yne (PubChem CID 10799663) has the molecular formula C8H11I and a molecular weight of 234.08 g/mol. Its IUPAC name is (4Z)-4-(iodomethylidene)hept-2-yne.

Molecular Properties

Compound Name(4Z)-4-(iodomethylidene)hept-2-yne
PubChem CID10799663
Molecular FormulaC8H11I
Molecular Weight234.08 g/mol
Exact Mass233.99
IUPAC Name(4Z)-4-(iodomethylidene)hept-2-yne
SMILESCC#C/C(=C\I)CCC
InChIInChI=1S/C8H11I/c1-3-5-8(7-9)6-4-2/h7H,3,5H2,1-2H3/b8-7-
InChIKeyUYBDGMFMAHVOLN-FPLPWBNLSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 53.13
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

6-Methylidenenon-4-yne
CID 15584278
(5Z)-5-(iodomethylidene)oct-1-en-6-yne
CID 15778096
2-Methyl-3-methylidenehept-1-en-5-yne
CID 569164
(7Z)-7-(iodomethylidene)undec-5-yne
CID 11022592
2-Methyldec-1-en-5-yne
CID 10582944
5-Methylideneoct-3-yne
CID 14197867
5-Methylideneocta-1,3-diyne
CID 19908669
2-Methylhept-1-en-5-yne
CID 53827294
4,5-Dimethylidenehept-2-yne
CID 58244999
2-Methyloct-1-en-6-yne
CID 123154837
6-Methylideneoct-2-yne
CID 123406934
4-Methylidenehept-2-yne
CID 123468308

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(iodomethylidene)hept-2-yne?
The IUPAC name of (4Z)-4-(iodomethylidene)hept-2-yne (CID 10799663) is (4Z)-4-(iodomethylidene)hept-2-yne.
What is the SMILES notation for (4Z)-4-(iodomethylidene)hept-2-yne?
The canonical SMILES for (4Z)-4-(iodomethylidene)hept-2-yne is CC#C/C(=C\I)CCC.
What is the InChIKey of (4Z)-4-(iodomethylidene)hept-2-yne?
The InChIKey is UYBDGMFMAHVOLN-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H11I/c1-3-5-8(7-9)6-4-2/h7H,3,5H2,1-2H3/b8-7-.
What are the key properties of (4Z)-4-(iodomethylidene)hept-2-yne?
(4Z)-4-(iodomethylidene)hept-2-yne has a molecular weight of 234.08 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(iodomethylidene)hept-2-yne is sourced from PubChem (CID 10799663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).