cis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin

C15H32O2Sn — CID 86584271

IUPACcis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin
SMILESCCCC[Sn]CCCC.OC[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C7H14O2.2C4H9.Sn/c8-5-6-3-1-2-4-7(6)9;2*1-3-4-2;/h6-9H,1-5H2;2*1,3-4H2,2H3;/t6-,7+;;;/m0.../s1
InChIKeyYYQMTNLESQIQAD-PXJNTPRPSA-N
MW363.13 g/mol
LogP3.66
Rot. Bonds7

About cis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin

cis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin (PubChem CID 86584271) has the molecular formula C15H32O2Sn and a molecular weight of 363.13 g/mol. Its IUPAC name is cis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin.

Molecular Properties

Compound Namecis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin
PubChem CID86584271
Molecular FormulaC15H32O2Sn
Molecular Weight363.13 g/mol
Exact Mass364.14
IUPAC Namecis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin
SMILESCCCC[Sn]CCCC.OC[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C7H14O2.2C4H9.Sn/c8-5-6-3-1-2-4-7(6)9;2*1-3-4-2;/h6-9H,1-5H2;2*1,3-4H2,2H3;/t6-,7+;;;/m0.../s1
InChIKeyYYQMTNLESQIQAD-PXJNTPRPSA-N
XLogP3.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.13
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-propylcyclohexan-1-ol
CID 144627240
cyclohexyloxycyclohexane;dibutyltin
CID 87393205
trans-(1R,2S)-2-hexylcyclopentan-1-ol
CID 10797255
cis-(1S,2S)-2-hexylcyclopentan-1-ol
CID 10654739
2-(2-hydroxyhexyl)cyclohexan-1-ol
CID 73083191
butyl(3-hydroxypropyl)tin
CID 177489361
cyclohexyl 2-hydroxyethanedithioate;dibutyltin
CID 88780816
2-(2-heptoxyethyl)cyclopentan-1-ol
CID 79563672
dibutyltin;λ2-stannane
CID 174939385
1-butoxybutane;dibutyltin
CID 87184018
[(1R,2R)-2-ethylcyclohexyl]methanol
CID 58154483
2-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 62610386

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin?
The IUPAC name of cis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin (CID 86584271) is cis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin.
What is the SMILES notation for cis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin?
The canonical SMILES for cis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin is CCCC[Sn]CCCC.OC[C@@H]1CCCC[C@H]1O.
What is the InChIKey of cis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin?
The InChIKey is YYQMTNLESQIQAD-PXJNTPRPSA-N. The full InChI is InChI=1S/C7H14O2.2C4H9.Sn/c8-5-6-3-1-2-4-7(6)9;2*1-3-4-2;/h6-9H,1-5H2;2*1,3-4H2,2H3;/t6-,7+;;;/m0.../s1.
What are the key properties of cis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin?
cis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin has a molecular weight of 363.13 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin is sourced from PubChem (CID 86584271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).