(2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol

C19H38OSn — CID 10668737

IUPAC(2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol
SMILESC/C=C(C(\C)=C\CO)/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H11O.3C4H9.Sn/c1-3-4-7(2)5-6-8;3*1-3-4-2;/h3,5,8H,6H2,1-2H3;3*1,3-4H2,2H3;/b4-3?,7-5+;;;;
InChIKeyKDIVZTDLBCVZQJ-AVTZJOPJSA-N
MW401.22 g/mol
LogP6.26
Rot. Bonds12

About (2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol

(2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol (PubChem CID 10668737) has the molecular formula C19H38OSn and a molecular weight of 401.22 g/mol. Its IUPAC name is (2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol
PubChem CID10668737
Molecular FormulaC19H38OSn
Molecular Weight401.22 g/mol
Exact Mass402.19
IUPAC Name(2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol
SMILESC/C=C(C(\C)=C\CO)/[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C7H11O.3C4H9.Sn/c1-3-4-7(2)5-6-8;3*1-3-4-2;/h3,5,8H,6H2,1-2H3;3*1,3-4H2,2H3;/b4-3?,7-5+;;;;
InChIKeyKDIVZTDLBCVZQJ-AVTZJOPJSA-N
XLogP6.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.22
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-tributylstannylbut-2-en-1-ol
CID 11405747
(E)-3-tributylstannylhex-2-en-1-ol
CID 10362882
3-tributylstannylpent-3-en-1-ol
CID 86034571
(Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol
CID 11082898
[(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane
CID 11784726
3-tributylstannylhexa-3,4-dien-1-ol
CID 15122114
methyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate
CID 134940806
tributyl-[(E)-1-tert-butylsulfanylprop-1-enyl]stannane
CID 11122627
tributyl-[(E)-1-butyltellanyloct-1-enyl]stannane
CID 10698547
3-tributylstannylbut-3-en-1-ol
CID 14272948
tributyl-[(Z)-oct-3-en-1-yn-3-yl]stannane
CID 177496668
N-[(Z)-3-tributylstannylpent-3-enyl]acetamide
CID 140736153

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol (CID 10668737) is (2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol is C/C=C(C(\C)=C\CO)/[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of (2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol?
The InChIKey is KDIVZTDLBCVZQJ-AVTZJOPJSA-N. The full InChI is InChI=1S/C7H11O.3C4H9.Sn/c1-3-4-7(2)5-6-8;3*1-3-4-2;/h3,5,8H,6H2,1-2H3;3*1,3-4H2,2H3;/b4-3?,7-5+;;;;.
What are the key properties of (2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol?
(2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol has a molecular weight of 401.22 g/mol, XLogP of 6.26, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol is sourced from PubChem (CID 10668737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).