CID 87645522

C14H29OSn — CID 87645522

IUPAC—
SMILESCCCCCCCCC(CCCCC)O[Sn]
InChIInChI=1S/C14H29O.Sn/c1-3-5-7-8-9-11-13-14(15)12-10-6-4-2;/h14H,3-13H2,1-2H3;/q-1;+1
InChIKeyFHBMCNLZLYOLIZ-UHFFFAOYSA-N
MW332.10 g/mol
LogP4.79
Rot. Bonds12

About CID 87645522

CID 87645522 (PubChem CID 87645522) has the molecular formula C14H29OSn and a molecular weight of 332.10 g/mol.

Molecular Properties

Compound NameCID 87645522
PubChem CID87645522
Molecular FormulaC14H29OSn
Molecular Weight332.10 g/mol
Exact Mass333.12
IUPAC Name—
SMILESCCCCCCCCC(CCCCC)O[Sn]
InChIInChI=1S/C14H29O.Sn/c1-3-5-7-8-9-11-13-14(15)12-10-6-4-2;/h14H,3-13H2,1-2H3;/q-1;+1
InChIKeyFHBMCNLZLYOLIZ-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.10
LogP ≤ 54.79
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

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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 23342512
CID 23342512
9-ethoxyoctadecane
CID 87148376
heptadecan-9-yloxytin(3+)
CID 23451604
4-icosan-4-yloxyicosane
CID 87313284
4-hexadecan-5-yloxyhexadecane
CID 57069400
6-octoxyundecane
CID 20520524

Frequently Asked Questions

What is the IUPAC name of CID 87645522?
The IUPAC name of CID 87645522 (CID 87645522) is not available.
What is the SMILES notation for CID 87645522?
The canonical SMILES for CID 87645522 is CCCCCCCCC(CCCCC)O[Sn].
What is the InChIKey of CID 87645522?
The InChIKey is FHBMCNLZLYOLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29O.Sn/c1-3-5-7-8-9-11-13-14(15)12-10-6-4-2;/h14H,3-13H2,1-2H3;/q-1;+1.
What are the key properties of CID 87645522?
CID 87645522 has a molecular weight of 332.10 g/mol, XLogP of 4.79, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87645522 is sourced from PubChem (CID 87645522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).