(1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol

C25H52OSn — CID 177418456

IUPAC(1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H](C[C@@H](O)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C13H25O.3C4H9.Sn/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11;3*1-3-4-2;/h10-12,14H,4-9H2,1-3H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1
InChIKeyZROIAAJMLHBEKZ-HHUWXINPSA-N
MW487.40 g/mol
LogP8.58
Rot. Bonds13

About (1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol

(1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol (PubChem CID 177418456) has the molecular formula C25H52OSn and a molecular weight of 487.40 g/mol. Its IUPAC name is (1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol.

Molecular Properties

Compound Name(1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol
PubChem CID177418456
Molecular FormulaC25H52OSn
Molecular Weight487.40 g/mol
Exact Mass488.30
IUPAC Name(1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)[C@@H](C[C@@H](O)C1CCCCC1)C(C)(C)C
InChIInChI=1S/C13H25O.3C4H9.Sn/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11;3*1-3-4-2;/h10-12,14H,4-9H2,1-3H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1
InChIKeyZROIAAJMLHBEKZ-HHUWXINPSA-N
XLogP8.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.40
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclooctylundecan-1-ol
CID 80603651
N-[cyclohexyl(tributylstannyl)methyl]butan-1-amine
CID 11026878
(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
tert-butyl N-[cyclohexyl(tributylstannyl)methyl]-N-methylcarbamate
CID 15164410
(1S,3R)-1-cyclopentylbutane-1,3-diol
CID 130757763
tributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane
CID 11134330
1-cyclopropylheptane-1,3-diol
CID 174466446
(1R)-1-cyclopentylpropan-1-ol;sulfane
CID 161153256
1-cyclopropylpentylcycloheptane
CID 91177068
dibutyl-(1-cyclohexylbutyl)-methylstannane
CID 150183423
1-cyclohexyl-2-(3,3-dimethylbutan-2-ylamino)ethanol
CID 115716454
cyclohexyl-(4-pentylcyclohexyl)methanol
CID 141212039

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol?
The IUPAC name of (1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol (CID 177418456) is (1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol.
What is the SMILES notation for (1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol?
The canonical SMILES for (1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol is CCCC[Sn](CCCC)(CCCC)[C@@H](C[C@@H](O)C1CCCCC1)C(C)(C)C.
What is the InChIKey of (1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol?
The InChIKey is ZROIAAJMLHBEKZ-HHUWXINPSA-N. The full InChI is InChI=1S/C13H25O.3C4H9.Sn/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11;3*1-3-4-2;/h10-12,14H,4-9H2,1-3H3;3*1,3-4H2,2H3;/t12-;;;;/m1..../s1.
What are the key properties of (1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol?
(1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol has a molecular weight of 487.40 g/mol, XLogP of 8.58, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-1-cyclohexyl-4,4-dimethyl-3-tributylstannylpentan-1-ol is sourced from PubChem (CID 177418456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).