1-cyclohexyl-3,3-bis(tributylstannyl)prop-2-en-1-ol

C33H68OSn2 — CID 10055651

IUPAC1-cyclohexyl-3,3-bis(tributylstannyl)prop-2-en-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)C(=CC(O)C1CCCCC1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H14O.6C4H9.2Sn/c1-2-9(10)8-6-4-3-5-7-8;6*1-3-4-2;;/h2,8-10H,3-7H2;6*1,3-4H2,2H3;;
InChIKeyDJPLIJOSUDGPTR-UHFFFAOYSA-N
MW718.33 g/mol
LogP11.63
Rot. Bonds22

About 1-cyclohexyl-3,3-bis(tributylstannyl)prop-2-en-1-ol

1-cyclohexyl-3,3-bis(tributylstannyl)prop-2-en-1-ol (PubChem CID 10055651) has the molecular formula C33H68OSn2 and a molecular weight of 718.33 g/mol. Its IUPAC name is 1-cyclohexyl-3,3-bis(tributylstannyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-3,3-bis(tributylstannyl)prop-2-en-1-ol
PubChem CID10055651
Molecular FormulaC33H68OSn2
Molecular Weight718.33 g/mol
Exact Mass720.33
IUPAC Name1-cyclohexyl-3,3-bis(tributylstannyl)prop-2-en-1-ol
SMILESCCCC[Sn](CCCC)(CCCC)C(=CC(O)C1CCCCC1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C9H14O.6C4H9.2Sn/c1-2-9(10)8-6-4-3-5-7-8;6*1-3-4-2;;/h2,8-10H,3-7H2;6*1,3-4H2,2H3;;
InChIKeyDJPLIJOSUDGPTR-UHFFFAOYSA-N
XLogP11.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.33
LogP ≤ 511.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclohexyl-2-propen-1-ol
CID 138196
1-Cyclohexylbuta-2,3-dien-1-ol
CID 10942646
1-Cyclohexyl-2-tri(propan-2-yl)silylbuta-2,3-dien-1-ol
CID 101261971
(1R)-1-cyclohexylprop-2-en-1-ol
CID 10725434
(1S)-1-cyclohexylprop-2-en-1-ol
CID 11171021
1-Cyclohexylbut-3-en-2-ol
CID 14261103
1-cyclohexyl-3-buten-2(S)-ol
CID 14261104
1-Cyclohexyl-2-methyl-2-propen-1-ol
CID 24059333
(E)-1-cyclohexyl-3-tributylstannylhept-2-en-1-ol
CID 10005591
(Z)-1-cyclohexyl-3-tributylstannyl-3-trimethylsilylprop-2-en-1-ol
CID 10458683
(1S)-1-cyclohexylbuta-2,3-dien-1-ol
CID 10986438
(1S)-1-cyclohexyl-2-ethylbuta-2,3-dien-1-ol
CID 14530451

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,3-bis(tributylstannyl)prop-2-en-1-ol?
The IUPAC name of 1-cyclohexyl-3,3-bis(tributylstannyl)prop-2-en-1-ol (CID 10055651) is 1-cyclohexyl-3,3-bis(tributylstannyl)prop-2-en-1-ol.
What is the SMILES notation for 1-cyclohexyl-3,3-bis(tributylstannyl)prop-2-en-1-ol?
The canonical SMILES for 1-cyclohexyl-3,3-bis(tributylstannyl)prop-2-en-1-ol is CCCC[Sn](CCCC)(CCCC)C(=CC(O)C1CCCCC1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of 1-cyclohexyl-3,3-bis(tributylstannyl)prop-2-en-1-ol?
The InChIKey is DJPLIJOSUDGPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.6C4H9.2Sn/c1-2-9(10)8-6-4-3-5-7-8;6*1-3-4-2;;/h2,8-10H,3-7H2;6*1,3-4H2,2H3;;.
What are the key properties of 1-cyclohexyl-3,3-bis(tributylstannyl)prop-2-en-1-ol?
1-cyclohexyl-3,3-bis(tributylstannyl)prop-2-en-1-ol has a molecular weight of 718.33 g/mol, XLogP of 11.63, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,3-bis(tributylstannyl)prop-2-en-1-ol is sourced from PubChem (CID 10055651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).