(7Z)-7-(iodomethylidene)undec-5-yne

C12H19I — CID 11022592

IUPAC(7Z)-7-(iodomethylidene)undec-5-yne
SMILESCCCCC#C/C(=C\I)CCCC
InChIInChI=1S/C12H19I/c1-3-5-7-8-10-12(11-13)9-6-4-2/h11H,3-7,9H2,1-2H3/b12-11-
InChIKeyHOABCFIFOIWVQK-QXMHVHEDSA-N
MW290.19 g/mol
LogP4.69
Rot. Bonds5

About (7Z)-7-(iodomethylidene)undec-5-yne

(7Z)-7-(iodomethylidene)undec-5-yne (PubChem CID 11022592) has the molecular formula C12H19I and a molecular weight of 290.19 g/mol. Its IUPAC name is (7Z)-7-(iodomethylidene)undec-5-yne.

Molecular Properties

Compound Name(7Z)-7-(iodomethylidene)undec-5-yne
PubChem CID11022592
Molecular FormulaC12H19I
Molecular Weight290.19 g/mol
Exact Mass290.05
IUPAC Name(7Z)-7-(iodomethylidene)undec-5-yne
SMILESCCCCC#C/C(=C\I)CCCC
InChIInChI=1S/C12H19I/c1-3-5-7-8-10-12(11-13)9-6-4-2/h11H,3-7,9H2,1-2H3/b12-11-
InChIKeyHOABCFIFOIWVQK-QXMHVHEDSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-Methylene-undec-5-yne
CID 10866683
6-Methylidenenon-4-yne
CID 15584278
(5Z)-5-(iodomethylidene)oct-1-en-6-yne
CID 15778096
5-Methylidenedodec-6-yne
CID 134978424
8-(Diiodomethylidene)tridec-6-yne
CID 154713317
1,8-Nonadien-3-yne, 2,8-dimethyl-7-methylene-
CID 589284
6-Methylideneundec-4-yne
CID 15584282
2,2-Dimethyl-5-methylidenenon-3-yne
CID 157282963
2-Methyldec-1-en-5-yne
CID 10582944
8-Methylidenetridec-6-yne
CID 11745489
5-Methylidenenon-2-yne
CID 91195351
7-Methylidenenon-2-yne
CID 91378808

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-(iodomethylidene)undec-5-yne?
The IUPAC name of (7Z)-7-(iodomethylidene)undec-5-yne (CID 11022592) is (7Z)-7-(iodomethylidene)undec-5-yne.
What is the SMILES notation for (7Z)-7-(iodomethylidene)undec-5-yne?
The canonical SMILES for (7Z)-7-(iodomethylidene)undec-5-yne is CCCCC#C/C(=C\I)CCCC.
What is the InChIKey of (7Z)-7-(iodomethylidene)undec-5-yne?
The InChIKey is HOABCFIFOIWVQK-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H19I/c1-3-5-7-8-10-12(11-13)9-6-4-2/h11H,3-7,9H2,1-2H3/b12-11-.
What are the key properties of (7Z)-7-(iodomethylidene)undec-5-yne?
(7Z)-7-(iodomethylidene)undec-5-yne has a molecular weight of 290.19 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-(iodomethylidene)undec-5-yne is sourced from PubChem (CID 11022592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).