(2E,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enylhepta-2,6-dien-1-ol

C17H32O2Si — CID 102344017

IUPAC(2E,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enylhepta-2,6-dien-1-ol
SMILESC=CC[C@@H](/C=C/CO)[C@@H](C=C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-8-11-16(12-10-13-18)15(9-2)14-19-20(6,7)17(3,4)5/h8-10,12,15-16,18H,1-2,11,13-14H2,3-7H3/b12-10+/t15-,16-/m0/s1
InChIKeyWPITWCINKARZEI-VMNGNHSPSA-N
MW296.53 g/mol
LogP4.55
Rot. Bonds9

About (2E,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enylhepta-2,6-dien-1-ol

(2E,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enylhepta-2,6-dien-1-ol (PubChem CID 102344017) has the molecular formula C17H32O2Si and a molecular weight of 296.53 g/mol. Its IUPAC name is (2E,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enylhepta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enylhepta-2,6-dien-1-ol
PubChem CID102344017
Molecular FormulaC17H32O2Si
Molecular Weight296.53 g/mol
Exact Mass296.22
IUPAC Name(2E,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enylhepta-2,6-dien-1-ol
SMILESC=CC[C@@H](/C=C/CO)[C@@H](C=C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H32O2Si/c1-8-11-16(12-10-13-18)15(9-2)14-19-20(6,7)17(3,4)5/h8-10,12,15-16,18H,1-2,11,13-14H2,3-7H3/b12-10+/t15-,16-/m0/s1
InChIKeyWPITWCINKARZEI-VMNGNHSPSA-N
XLogP4.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enylhepta-2,6-dien-1-ol?
The IUPAC name of (2E,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enylhepta-2,6-dien-1-ol (CID 102344017) is (2E,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enylhepta-2,6-dien-1-ol.
What is the SMILES notation for (2E,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enylhepta-2,6-dien-1-ol?
The canonical SMILES for (2E,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enylhepta-2,6-dien-1-ol is C=CC[C@@H](/C=C/CO)[C@@H](C=C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2E,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enylhepta-2,6-dien-1-ol?
The InChIKey is WPITWCINKARZEI-VMNGNHSPSA-N. The full InChI is InChI=1S/C17H32O2Si/c1-8-11-16(12-10-13-18)15(9-2)14-19-20(6,7)17(3,4)5/h8-10,12,15-16,18H,1-2,11,13-14H2,3-7H3/b12-10+/t15-,16-/m0/s1.
What are the key properties of (2E,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enylhepta-2,6-dien-1-ol?
(2E,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enylhepta-2,6-dien-1-ol has a molecular weight of 296.53 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enylhepta-2,6-dien-1-ol is sourced from PubChem (CID 102344017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).