heptadecan-9-yloxytin(3+)

C17H35OSn+3 — CID 23451604

IUPACheptadecan-9-yloxytin(3+)
SMILESCCCCCCCCC(CCCCCCCC)O[Sn+3]
InChIInChI=1S/C17H35O.Sn/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2;/h17H,3-16H2,1-2H3;/q-1;+4
InChIKeyRPWXIXHFBAOCPU-UHFFFAOYSA-N
MW374.18 g/mol
LogP5.96
Rot. Bonds15

About heptadecan-9-yloxytin(3+)

heptadecan-9-yloxytin(3+) (PubChem CID 23451604) has the molecular formula C17H35OSn+3 and a molecular weight of 374.18 g/mol. Its IUPAC name is heptadecan-9-yloxytin(3+).

Molecular Properties

Compound Nameheptadecan-9-yloxytin(3+)
PubChem CID23451604
Molecular FormulaC17H35OSn+3
Molecular Weight374.18 g/mol
Exact Mass375.17
IUPAC Nameheptadecan-9-yloxytin(3+)
SMILESCCCCCCCCC(CCCCCCCC)O[Sn+3]
InChIInChI=1S/C17H35O.Sn/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2;/h17H,3-16H2,1-2H3;/q-1;+4
InChIKeyRPWXIXHFBAOCPU-UHFFFAOYSA-N
XLogP5.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.18
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
3-icosan-3-yloxyicosane
CID 22595200
(5S)-5-methoxyundecane
CID 118889956
tripentadecan-6-yl phosphite
CID 87207088
3-pentadecan-3-yloxypentadecane
CID 57200588
CID 87645522
CID 87645522
CID 23342512
CID 23342512
9-ethoxyoctadecane
CID 87148376
4-icosan-4-yloxyicosane
CID 87313284
1-octadecan-9-yloxyethanol
CID 167496272
4-hexadecan-5-yloxyhexadecane
CID 57069400

Frequently Asked Questions

What is the IUPAC name of heptadecan-9-yloxytin(3+)?
The IUPAC name of heptadecan-9-yloxytin(3+) (CID 23451604) is heptadecan-9-yloxytin(3+).
What is the SMILES notation for heptadecan-9-yloxytin(3+)?
The canonical SMILES for heptadecan-9-yloxytin(3+) is CCCCCCCCC(CCCCCCCC)O[Sn+3].
What is the InChIKey of heptadecan-9-yloxytin(3+)?
The InChIKey is RPWXIXHFBAOCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35O.Sn/c1-3-5-7-9-11-13-15-17(18)16-14-12-10-8-6-4-2;/h17H,3-16H2,1-2H3;/q-1;+4.
What are the key properties of heptadecan-9-yloxytin(3+)?
heptadecan-9-yloxytin(3+) has a molecular weight of 374.18 g/mol, XLogP of 5.96, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecan-9-yloxytin(3+) is sourced from PubChem (CID 23451604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).