cis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol

C21H40OSn — CID 177468630

IUPACcis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol
SMILESCCCC[Sn](C#CC[C@@H]1CCCC[C@H]1O)(CCCC)CCCC
InChIInChI=1S/C9H13O.3C4H9.Sn/c1-2-5-8-6-3-4-7-9(8)10;3*1-3-4-2;/h8-10H,3-7H2;3*1,3-4H2,2H3;/t8-,9-;;;;/m1..../s1
InChIKeyKYSISUUHUXOBCB-WNHJFKIESA-N
MW427.26 g/mol
LogP6.32
Rot. Bonds10

About cis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol

cis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol (PubChem CID 177468630) has the molecular formula C21H40OSn and a molecular weight of 427.26 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol
PubChem CID177468630
Molecular FormulaC21H40OSn
Molecular Weight427.26 g/mol
Exact Mass428.21
IUPAC Namecis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol
SMILESCCCC[Sn](C#CC[C@@H]1CCCC[C@H]1O)(CCCC)CCCC
InChIInChI=1S/C9H13O.3C4H9.Sn/c1-2-5-8-6-3-4-7-9(8)10;3*1-3-4-2;/h8-10H,3-7H2;3*1,3-4H2,2H3;/t8-,9-;;;;/m1..../s1
InChIKeyKYSISUUHUXOBCB-WNHJFKIESA-N
XLogP6.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.26
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-2-hept-2-ynylcyclopentan-1-ol
CID 12791819
cis-(1R,2S)-2-pent-2-ynylcyclopentan-1-ol
CID 131067468
tributyl(6-tributylstannylhexa-1,5-diynyl)stannane
CID 15733956
tributyl(2-cyclobutylethynyl)stannane
CID 70009182
(1R)-2-propylcyclohexan-1-ol
CID 144627240
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
cis-(1R,2S)-2-(hydroxymethyl)cyclohexan-1-ol;dibutyltin
CID 86584271
cis-(1R,2S)-2-prop-2-ynylcyclopentan-1-ol
CID 12791811
trans-(1S,2S)-2-prop-2-ynylcyclopentan-1-ol
CID 12791810
tributyl-[2-[(1S,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethynyl]stannane
CID 124919059

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol (CID 177468630) is cis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol is CCCC[Sn](C#CC[C@@H]1CCCC[C@H]1O)(CCCC)CCCC.
What is the InChIKey of cis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol?
The InChIKey is KYSISUUHUXOBCB-WNHJFKIESA-N. The full InChI is InChI=1S/C9H13O.3C4H9.Sn/c1-2-5-8-6-3-4-7-9(8)10;3*1-3-4-2;/h8-10H,3-7H2;3*1,3-4H2,2H3;/t8-,9-;;;;/m1..../s1.
What are the key properties of cis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol?
cis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol has a molecular weight of 427.26 g/mol, XLogP of 6.32, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3-tributylstannylprop-2-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 177468630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).