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

C19H40OSn — CID 14261920

IUPAC(E)-1-tributylstannylhept-2-en-1-ol
SMILESCCCC/C=C/C(O)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H13O.3C4H9.Sn/c1-2-3-4-5-6-7-8;3*1-3-4-2;/h5-8H,2-4H2,1H3;3*1,3-4H2,2H3;/b6-5+;;;;
InChIKeyDTCWIMPBVRYIHS-WPYDVODASA-N
MW403.24 g/mol
LogP6.48
Rot. Bonds14

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

(E)-1-tributylstannylhept-2-en-1-ol (PubChem CID 14261920) has the molecular formula C19H40OSn and a molecular weight of 403.24 g/mol. Its IUPAC name is (E)-1-tributylstannylhept-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-tributylstannylhept-2-en-1-ol
PubChem CID14261920
Molecular FormulaC19H40OSn
Molecular Weight403.24 g/mol
Exact Mass404.21
IUPAC Name(E)-1-tributylstannylhept-2-en-1-ol
SMILESCCCC/C=C/C(O)[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H13O.3C4H9.Sn/c1-2-3-4-5-6-7-8;3*1-3-4-2;/h5-8H,2-4H2,1H3;3*1,3-4H2,2H3;/b6-5+;;;;
InChIKeyDTCWIMPBVRYIHS-WPYDVODASA-N
XLogP6.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.24
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-6-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylhex-2-en-1-ol
CID 10815797
(E)-11-[tert-butyl(dimethyl)silyl]oxy-1-tributylstannylundec-2-en-1-ol
CID 10555379
(E)-hept-2-ene-1,1-diol
CID 87660901
(Z,2S,3R)-non-4-ene-2,3-diol
CID 11321105
(Z,3S)-2,2-dimethylnon-4-en-3-ol
CID 129365171
(E)-3-hydroxynon-4-enoic acid
CID 55277354
(Z,2R)-non-3-en-2-ol
CID 11040800
deca-1,5-diene-3,4-diol
CID 130238346
1,1-dichlorohept-2-ene
CID 87443085
(E,2S)-2-aminooct-3-enoic acid
CID 134212552
(3S,4Z)-undeca-1,4-dien-3-ol
CID 129408350
undec-3-en-2-ol
CID 174515693

Frequently Asked Questions

What is the IUPAC name of (E)-1-tributylstannylhept-2-en-1-ol?
The IUPAC name of (E)-1-tributylstannylhept-2-en-1-ol (CID 14261920) is (E)-1-tributylstannylhept-2-en-1-ol.
What is the SMILES notation for (E)-1-tributylstannylhept-2-en-1-ol?
The canonical SMILES for (E)-1-tributylstannylhept-2-en-1-ol is CCCC/C=C/C(O)[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (E)-1-tributylstannylhept-2-en-1-ol?
The InChIKey is DTCWIMPBVRYIHS-WPYDVODASA-N. The full InChI is InChI=1S/C7H13O.3C4H9.Sn/c1-2-3-4-5-6-7-8;3*1-3-4-2;/h5-8H,2-4H2,1H3;3*1,3-4H2,2H3;/b6-5+;;;;.
What are the key properties of (E)-1-tributylstannylhept-2-en-1-ol?
(E)-1-tributylstannylhept-2-en-1-ol has a molecular weight of 403.24 g/mol, XLogP of 6.48, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-tributylstannylhept-2-en-1-ol is sourced from PubChem (CID 14261920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).