(1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol

C35H68OSn2 — CID 10930655

IUPAC(1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)CC[C@@H](C[Sn](CCCC)(CCCC)CCCC)[C@H](O)c1ccccc1
InChIInChI=1S/C11H14O.6C4H9.2Sn/c1-3-9(2)11(12)10-7-5-4-6-8-10;6*1-3-4-2;;/h4-9,11-12H,1-3H2;6*1,3-4H2,2H3;;/t9-,11+;;;;;;;;/m1......../s1
InChIKeyVUTUOQHQZRZOHM-JUCFVGPDSA-N
MW742.35 g/mol
LogP12.42
Rot. Bonds25

About (1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol

(1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol (PubChem CID 10930655) has the molecular formula C35H68OSn2 and a molecular weight of 742.35 g/mol. Its IUPAC name is (1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol.

Molecular Properties

Compound Name(1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol
PubChem CID10930655
Molecular FormulaC35H68OSn2
Molecular Weight742.35 g/mol
Exact Mass744.33
IUPAC Name(1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)CC[C@@H](C[Sn](CCCC)(CCCC)CCCC)[C@H](O)c1ccccc1
InChIInChI=1S/C11H14O.6C4H9.2Sn/c1-3-9(2)11(12)10-7-5-4-6-8-10;6*1-3-4-2;;/h4-9,11-12H,1-3H2;6*1,3-4H2,2H3;;/t9-,11+;;;;;;;;/m1......../s1
InChIKeyVUTUOQHQZRZOHM-JUCFVGPDSA-N
XLogP12.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.35
LogP ≤ 512.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 82987900
(1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol
CID 10774706
(1S)-1-phenylpentan-1-ol
CID 6992754
(1S,2S)-2-benzyl-1-phenyl-3,3-bis(tributylstannyl)propan-1-ol
CID 10509574
(1R)-1-phenyloctan-1-ol
CID 12794259
(1R,2R)-1,2-diphenylpentan-1-ol
CID 102474717
2-amino-1-phenyloctan-1-ol;hydrochloride
CID 138400765
(1S)-2-ethenyl-1-phenylhexan-1-ol
CID 135057240
(E)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol
CID 14527456
(Z)-1-phenyl-4-(tributylstannylmethoxy)but-2-en-1-ol
CID 14527457
(1S,2R,3S,4S)-2-butyl-1-phenylheptane-1,3,4-triol
CID 101411892
(1S,2R)-2-ethenyl-1-phenylheptadecan-1-ol
CID 135804741

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol?
The IUPAC name of (1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol (CID 10930655) is (1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol.
What is the SMILES notation for (1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol?
The canonical SMILES for (1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol is CCCC[Sn](CCCC)(CCCC)CC[C@@H](C[Sn](CCCC)(CCCC)CCCC)[C@H](O)c1ccccc1.
What is the InChIKey of (1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol?
The InChIKey is VUTUOQHQZRZOHM-JUCFVGPDSA-N. The full InChI is InChI=1S/C11H14O.6C4H9.2Sn/c1-3-9(2)11(12)10-7-5-4-6-8-10;6*1-3-4-2;;/h4-9,11-12H,1-3H2;6*1,3-4H2,2H3;;/t9-,11+;;;;;;;;/m1......../s1.
What are the key properties of (1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol?
(1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol has a molecular weight of 742.35 g/mol, XLogP of 12.42, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-phenyl-4-tributylstannyl-2-(tributylstannylmethyl)butan-1-ol is sourced from PubChem (CID 10930655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).