[(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane

C26H44O4Si — CID 71812303

IUPAC[(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane
SMILESC=C[C@H](CCCC)O[Si](O[C@@H](C=C)CCOCc1ccc(OC)cc1)(C(C)C)C(C)C
InChIInChI=1S/C26H44O4Si/c1-9-12-13-24(10-2)29-31(21(4)5,22(6)7)30-25(11-3)18-19-28-20-23-14-16-26(27-8)17-15-23/h10-11,14-17,21-22,24-25H,2-3,9,12-13,18-20H2,1,4-8H3/t24-,25+/m1/s1
InChIKeyQSDRNHSOPQYVGY-RPBOFIJWSA-N
MW448.72 g/mol
LogP7.20
Rot. Bonds17

About [(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane

[(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane (PubChem CID 71812303) has the molecular formula C26H44O4Si and a molecular weight of 448.72 g/mol. Its IUPAC name is [(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane.

Molecular Properties

Compound Name[(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane
PubChem CID71812303
Molecular FormulaC26H44O4Si
Molecular Weight448.72 g/mol
Exact Mass448.30
IUPAC Name[(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane
SMILESC=C[C@H](CCCC)O[Si](O[C@@H](C=C)CCOCc1ccc(OC)cc1)(C(C)C)C(C)C
InChIInChI=1S/C26H44O4Si/c1-9-12-13-24(10-2)29-31(21(4)5,22(6)7)30-25(11-3)18-19-28-20-23-14-16-26(27-8)17-15-23/h10-11,14-17,21-22,24-25H,2-3,9,12-13,18-20H2,1,4-8H3/t24-,25+/m1/s1
InChIKeyQSDRNHSOPQYVGY-RPBOFIJWSA-N
XLogP7.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.72
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-6-[(4-methoxyphenyl)methoxy]hex-1-en-3-ol
CID 24864257
1-methoxy-4-(octoxymethyl)benzene
CID 11288168
1-(3-isocyanobutoxymethyl)-4-methoxybenzene
CID 86075538
(3S,4S)-4-(methoxymethoxy)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 11471994
(3S)-1-[(4-methoxyphenyl)methoxy]hex-5-en-3-ol
CID 46900175
1-methoxy-4-[[(3R)-3-(2-phenylethynyl)pent-4-enoxy]methyl]benzene
CID 134960594
1-[(3S)-hex-1-en-3-yl]oxy-4-methoxybenzene
CID 11321707
(3S,4S)-1,6-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol
CID 10894444
tert-butyl-[(3S,4R,5S)-5-(methoxymethoxy)-7-[(4-methoxyphenyl)methoxy]-4-methylhept-1-en-3-yl]oxy-dimethylsilane
CID 71733102
(3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine
CID 71480450
(5R)-5-[(4-methoxyphenyl)methoxy]hept-6-enal
CID 71665399
1-(2-ethylbut-3-enoxymethyl)-4-methoxybenzene
CID 101467389

Frequently Asked Questions

What is the IUPAC name of [(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane?
The IUPAC name of [(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane (CID 71812303) is [(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane.
What is the SMILES notation for [(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane?
The canonical SMILES for [(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane is C=C[C@H](CCCC)O[Si](O[C@@H](C=C)CCOCc1ccc(OC)cc1)(C(C)C)C(C)C.
What is the InChIKey of [(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane?
The InChIKey is QSDRNHSOPQYVGY-RPBOFIJWSA-N. The full InChI is InChI=1S/C26H44O4Si/c1-9-12-13-24(10-2)29-31(21(4)5,22(6)7)30-25(11-3)18-19-28-20-23-14-16-26(27-8)17-15-23/h10-11,14-17,21-22,24-25H,2-3,9,12-13,18-20H2,1,4-8H3/t24-,25+/m1/s1.
What are the key properties of [(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane?
[(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane has a molecular weight of 448.72 g/mol, XLogP of 7.20, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-hept-1-en-3-yl]oxy-[(3R)-5-[(4-methoxyphenyl)methoxy]pent-1-en-3-yl]oxy-di(propan-2-yl)silane is sourced from PubChem (CID 71812303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).