(E)-1-cyclohexyl-3-tributylstannylhept-2-en-1-ol

C25H50OSn — CID 10005591

IUPAC(E)-1-cyclohexyl-3-tributylstannylhept-2-en-1-ol
SMILESCCCC/C(=C\C(O)C1CCCCC1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C13H23O.3C4H9.Sn/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12;3*1-3-4-2;/h11-14H,2-7,9-10H2,1H3;3*1,3-4H2,2H3;
InChIKeyJAUJPZIHDXMVOS-UHFFFAOYSA-N
MW485.39 g/mol
LogP8.43
Rot. Bonds15

About (E)-1-cyclohexyl-3-tributylstannylhept-2-en-1-ol

(E)-1-cyclohexyl-3-tributylstannylhept-2-en-1-ol (PubChem CID 10005591) has the molecular formula C25H50OSn and a molecular weight of 485.39 g/mol. Its IUPAC name is (E)-1-cyclohexyl-3-tributylstannylhept-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-cyclohexyl-3-tributylstannylhept-2-en-1-ol
PubChem CID10005591
Molecular FormulaC25H50OSn
Molecular Weight485.39 g/mol
Exact Mass486.29
IUPAC Name(E)-1-cyclohexyl-3-tributylstannylhept-2-en-1-ol
SMILESCCCC/C(=C\C(O)C1CCCCC1)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C13H23O.3C4H9.Sn/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12;3*1-3-4-2;/h11-14H,2-7,9-10H2,1H3;3*1,3-4H2,2H3;
InChIKeyJAUJPZIHDXMVOS-UHFFFAOYSA-N
XLogP8.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.39
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Carveol
CID 7438
Carveol, trans-(-)-
CID 94221
Carveol, cis-(-)-
CID 330573
(+)-cis-Carveol
CID 443177
(+)-trans-Carveol
CID 443178
3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-ol
CID 527822
(-)-trans-Isopiperitenol
CID 439410
1-Cyclohexyl-2-buten-1-ol (c,t)
CID 5358342
(1R,6S)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 11579163
Epimukulol
CID 13255923
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethenyl)-, (1R,6R)-
CID 12311192
(1R,4E,7R,10E)-4,10-dimethyl-14-methylidene-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-ol
CID 155536387

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexyl-3-tributylstannylhept-2-en-1-ol?
The IUPAC name of (E)-1-cyclohexyl-3-tributylstannylhept-2-en-1-ol (CID 10005591) is (E)-1-cyclohexyl-3-tributylstannylhept-2-en-1-ol.
What is the SMILES notation for (E)-1-cyclohexyl-3-tributylstannylhept-2-en-1-ol?
The canonical SMILES for (E)-1-cyclohexyl-3-tributylstannylhept-2-en-1-ol is CCCC/C(=C\C(O)C1CCCCC1)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (E)-1-cyclohexyl-3-tributylstannylhept-2-en-1-ol?
The InChIKey is JAUJPZIHDXMVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23O.3C4H9.Sn/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12;3*1-3-4-2;/h11-14H,2-7,9-10H2,1H3;3*1,3-4H2,2H3;.
What are the key properties of (E)-1-cyclohexyl-3-tributylstannylhept-2-en-1-ol?
(E)-1-cyclohexyl-3-tributylstannylhept-2-en-1-ol has a molecular weight of 485.39 g/mol, XLogP of 8.43, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexyl-3-tributylstannylhept-2-en-1-ol is sourced from PubChem (CID 10005591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).