15-iodopentadec-7-yne

C15H27I — CID 10496912

IUPAC15-iodopentadec-7-yne
SMILESCCCCCCC#CCCCCCCCI
InChIInChI=1S/C15H27I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-6,9-15H2,1H3
InChIKeyDHLAXBNTQKYBIR-UHFFFAOYSA-N
MW334.29 g/mol
LogP5.74
Rot. Bonds10

About 15-iodopentadec-7-yne

15-iodopentadec-7-yne (PubChem CID 10496912) has the molecular formula C15H27I and a molecular weight of 334.29 g/mol. Its IUPAC name is 15-iodopentadec-7-yne.

Molecular Properties

Compound Name15-iodopentadec-7-yne
PubChem CID10496912
Molecular FormulaC15H27I
Molecular Weight334.29 g/mol
Exact Mass334.12
IUPAC Name15-iodopentadec-7-yne
SMILESCCCCCCC#CCCCCCCCI
InChIInChI=1S/C15H27I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-6,9-15H2,1H3
InChIKeyDHLAXBNTQKYBIR-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.29
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

henicos-8-yne
CID 22224321
CID 175765895
CID 175765895
1-iodooct-2-yne
CID 11276399
pentacos-4-yne
CID 22223888
nonacos-4-yne
CID 22223961
1-iodooctane;phosphane
CID 88789975
1-iodotetradecane;phosphane
CID 88696051
hexadeca-3,9-diyne
CID 54568863
hexacos-3-yne
CID 22223851
magnesium;hydride;1-iodooctane
CID 173319827
1-iodoundec-1-yne
CID 22678053
icosa-5,8,11-triyne
CID 139696043

Frequently Asked Questions

What is the IUPAC name of 15-iodopentadec-7-yne?
The IUPAC name of 15-iodopentadec-7-yne (CID 10496912) is 15-iodopentadec-7-yne.
What is the SMILES notation for 15-iodopentadec-7-yne?
The canonical SMILES for 15-iodopentadec-7-yne is CCCCCCC#CCCCCCCCI.
What is the InChIKey of 15-iodopentadec-7-yne?
The InChIKey is DHLAXBNTQKYBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-6,9-15H2,1H3.
What are the key properties of 15-iodopentadec-7-yne?
15-iodopentadec-7-yne has a molecular weight of 334.29 g/mol, XLogP of 5.74, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-iodopentadec-7-yne is sourced from PubChem (CID 10496912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).