5-tributylstannylbicyclo[2.1.1]hexan-2-ol

C18H36OSn — CID 13443441

IUPAC5-tributylstannylbicyclo[2.1.1]hexan-2-ol
SMILESCCCC[Sn](CCCC)(CCCC)C1C2CC(O)C1C2
InChIInChI=1S/C6H9O.3C4H9.Sn/c7-6-3-4-1-5(6)2-4;3*1-3-4-2;/h1,4-7H,2-3H2;3*1,3-4H2,2H3;
InChIKeyWUMOPEWEJVWBSV-UHFFFAOYSA-N
MW387.20 g/mol
LogP5.61
Rot. Bonds10

About 5-tributylstannylbicyclo[2.1.1]hexan-2-ol

5-tributylstannylbicyclo[2.1.1]hexan-2-ol (PubChem CID 13443441) has the molecular formula C18H36OSn and a molecular weight of 387.20 g/mol. Its IUPAC name is 5-tributylstannylbicyclo[2.1.1]hexan-2-ol.

Molecular Properties

Compound Name5-tributylstannylbicyclo[2.1.1]hexan-2-ol
PubChem CID13443441
Molecular FormulaC18H36OSn
Molecular Weight387.20 g/mol
Exact Mass388.18
IUPAC Name5-tributylstannylbicyclo[2.1.1]hexan-2-ol
SMILESCCCC[Sn](CCCC)(CCCC)C1C2CC(O)C1C2
InChIInChI=1S/C6H9O.3C4H9.Sn/c7-6-3-4-1-5(6)2-4;3*1-3-4-2;/h1,4-7H,2-3H2;3*1,3-4H2,2H3;
InChIKeyWUMOPEWEJVWBSV-UHFFFAOYSA-N
XLogP5.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.20
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
cis-(1S,2S)-2-butylcyclopropan-1-ol
CID 14453674
(1R,2R,4S,5S,6R)-tricyclo[3.2.1.02,4]octan-6-ol
CID 124536655
(1R,2R,3R,6S,7S,8R,9R,11S,12R,13R,14S)-6-(tributylstannylmethyl)-4-oxahexacyclo[6.6.0.02,6.03,12.07,11.09,13]tetradecan-14-ol
CID 44556658
(3R,4S)-tricyclo[4.2.1.03,7]nonan-4-ol
CID 12649513
tributyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 71403532
9-methyltetracyclo[6.2.1.13,6.02,7]dodecan-4-ol
CID 58312204
tributyl-[(2S)-pyrrolidin-2-yl]stannane
CID 14936914
tributyl-(2-deuterio-1,3-dithian-2-yl)stannane
CID 12015330
tributyl-[(5Z)-3,4,7,8-tetrahydro-2H-oxocin-2-yl]stannane
CID 15832543
5-octadecoxybicyclo[2.2.1]heptan-2-ol
CID 173215531
tetrabutylstannane
CID 160899301

Frequently Asked Questions

What is the IUPAC name of 5-tributylstannylbicyclo[2.1.1]hexan-2-ol?
The IUPAC name of 5-tributylstannylbicyclo[2.1.1]hexan-2-ol (CID 13443441) is 5-tributylstannylbicyclo[2.1.1]hexan-2-ol.
What is the SMILES notation for 5-tributylstannylbicyclo[2.1.1]hexan-2-ol?
The canonical SMILES for 5-tributylstannylbicyclo[2.1.1]hexan-2-ol is CCCC[Sn](CCCC)(CCCC)C1C2CC(O)C1C2.
What is the InChIKey of 5-tributylstannylbicyclo[2.1.1]hexan-2-ol?
The InChIKey is WUMOPEWEJVWBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9O.3C4H9.Sn/c7-6-3-4-1-5(6)2-4;3*1-3-4-2;/h1,4-7H,2-3H2;3*1,3-4H2,2H3;.
What are the key properties of 5-tributylstannylbicyclo[2.1.1]hexan-2-ol?
5-tributylstannylbicyclo[2.1.1]hexan-2-ol has a molecular weight of 387.20 g/mol, XLogP of 5.61, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tributylstannylbicyclo[2.1.1]hexan-2-ol is sourced from PubChem (CID 13443441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).