CID 87702087

C10H20O2Sn — CID 87702087

IUPAC—
SMILESCCCCC(CCCC)C(=O)O.[Sn]
InChIInChI=1S/C10H20O2.Sn/c1-3-5-7-9(10(11)12)8-6-4-2;/h9H,3-8H2,1-2H3,(H,11,12);
InChIKeyVIFFNYAVJACGFW-UHFFFAOYSA-N
MW290.98 g/mol
LogP2.69
Rot. Bonds7

About CID 87702087

CID 87702087 (PubChem CID 87702087) has the molecular formula C10H20O2Sn and a molecular weight of 290.98 g/mol.

Molecular Properties

Compound NameCID 87702087
PubChem CID87702087
Molecular FormulaC10H20O2Sn
Molecular Weight290.98 g/mol
Exact Mass292.05
IUPAC Name—
SMILESCCCCC(CCCC)C(=O)O.[Sn]
InChIInChI=1S/C10H20O2.Sn/c1-3-5-7-9(10(11)12)8-6-4-2;/h9H,3-8H2,1-2H3,(H,11,12);
InChIKeyVIFFNYAVJACGFW-UHFFFAOYSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.98
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;2,7-dibutyloctanedioic acid
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CID 87429538
(2S)-2-butyldecanoic acid
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2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-dodecyloctacosanoic acid
CID 90897371
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
(2S)-2-heptyldecanoic acid
CID 171991627

Frequently Asked Questions

What is the IUPAC name of CID 87702087?
The IUPAC name of CID 87702087 (CID 87702087) is not available.
What is the SMILES notation for CID 87702087?
The canonical SMILES for CID 87702087 is CCCCC(CCCC)C(=O)O.[Sn].
What is the InChIKey of CID 87702087?
The InChIKey is VIFFNYAVJACGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.Sn/c1-3-5-7-9(10(11)12)8-6-4-2;/h9H,3-8H2,1-2H3,(H,11,12);.
What are the key properties of CID 87702087?
CID 87702087 has a molecular weight of 290.98 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87702087 is sourced from PubChem (CID 87702087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).