(4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(4-methoxyphenoxy)hept-1-en-4-ol

C20H34O4Si — CID 102042788

IUPAC(4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(4-methoxyphenoxy)hept-1-en-4-ol
SMILESC=CC[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)Oc1ccc(OC)cc1
InChIInChI=1S/C20H34O4Si/c1-9-10-18(21)19(24-25(7,8)20(3,4)5)15(2)23-17-13-11-16(22-6)12-14-17/h9,11-15,18-19,21H,1,10H2,2-8H3/t15-,18-,19+/m0/s1
InChIKeyFHLCNLIXZMNHCS-ZYSHUDEJSA-N
MW366.57 g/mol
LogP4.79
Rot. Bonds9

About (4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(4-methoxyphenoxy)hept-1-en-4-ol

(4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(4-methoxyphenoxy)hept-1-en-4-ol (PubChem CID 102042788) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is (4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(4-methoxyphenoxy)hept-1-en-4-ol.

Molecular Properties

Compound Name(4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(4-methoxyphenoxy)hept-1-en-4-ol
PubChem CID102042788
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Name(4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(4-methoxyphenoxy)hept-1-en-4-ol
SMILESC=CC[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)Oc1ccc(OC)cc1
InChIInChI=1S/C20H34O4Si/c1-9-10-18(21)19(24-25(7,8)20(3,4)5)15(2)23-17-13-11-16(22-6)12-14-17/h9,11-15,18-19,21H,1,10H2,2-8H3/t15-,18-,19+/m0/s1
InChIKeyFHLCNLIXZMNHCS-ZYSHUDEJSA-N
XLogP4.79
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-1-chloro-1-phenylhex-5-en-3-ol
CID 134851798
(3S,4S,5R,7S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-7-[(4-methoxyphenyl)methoxy]-5-methyloctan-2-ol
CID 71469752
N-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-1-en-3-yl]-4-methoxyaniline
CID 135014872
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-[(4-methoxyphenyl)methoxy]-4-methylpentan-2-ol
CID 56647550
(4S,7E,10R)-4-[tert-butyl(dimethyl)silyl]oxy-11-[(4-methoxyphenyl)methoxy]-10-methylundeca-1,7-dien-6-one
CID 134843160
tert-butyl-[(Z,2S,3S,4S)-6-iodo-1-[(4-methoxyphenyl)methoxy]-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilane
CID 16732701
(4S,5R,6S)-6-[tert-butyl(diphenyl)silyl]oxy-7-[(4-methoxyphenyl)methoxy]-5-methylhept-1-en-4-ol
CID 11731013
(2R,3R)-1-[tert-butyl(dimethyl)silyl]oxy-2-methylhex-5-en-3-ol
CID 11276618
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 58762106
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 177467980
(7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-2,4,6,6-tetramethyldec-9-en-5-one
CID 87331816
tert-butyl-[(3S,4S,5E)-7-[(4-methoxyphenyl)methoxy]-3,5-dimethylhepta-1,5-dien-4-yl]oxy-dimethylsilane
CID 66938059

Frequently Asked Questions

What is the IUPAC name of (4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(4-methoxyphenoxy)hept-1-en-4-ol?
The IUPAC name of (4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(4-methoxyphenoxy)hept-1-en-4-ol (CID 102042788) is (4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(4-methoxyphenoxy)hept-1-en-4-ol.
What is the SMILES notation for (4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(4-methoxyphenoxy)hept-1-en-4-ol?
The canonical SMILES for (4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(4-methoxyphenoxy)hept-1-en-4-ol is C=CC[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)Oc1ccc(OC)cc1.
What is the InChIKey of (4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(4-methoxyphenoxy)hept-1-en-4-ol?
The InChIKey is FHLCNLIXZMNHCS-ZYSHUDEJSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-9-10-18(21)19(24-25(7,8)20(3,4)5)15(2)23-17-13-11-16(22-6)12-14-17/h9,11-15,18-19,21H,1,10H2,2-8H3/t15-,18-,19+/m0/s1.
What are the key properties of (4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(4-methoxyphenoxy)hept-1-en-4-ol?
(4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(4-methoxyphenoxy)hept-1-en-4-ol has a molecular weight of 366.57 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-(4-methoxyphenoxy)hept-1-en-4-ol is sourced from PubChem (CID 102042788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).