(3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol

C20H38O4Si — CID 25098859

IUPAC(3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](O)C/C=C\C=C\COC1CCCCO1
InChIInChI=1S/C20H38O4Si/c1-20(2,3)25(4,5)24-17-14-18(21)12-8-6-7-10-15-22-19-13-9-11-16-23-19/h6-8,10,18-19,21H,9,11-17H2,1-5H3/b8-6-,10-7+/t18-,19?/m0/s1
InChIKeySXNHLKBFFZLNJT-RWRHSKDNSA-N
MW370.61 g/mol
LogP4.80
Rot. Bonds10

About (3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol

(3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol (PubChem CID 25098859) has the molecular formula C20H38O4Si and a molecular weight of 370.61 g/mol. Its IUPAC name is (3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol.

Molecular Properties

Compound Name(3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol
PubChem CID25098859
Molecular FormulaC20H38O4Si
Molecular Weight370.61 g/mol
Exact Mass370.25
IUPAC Name(3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](O)C/C=C\C=C\COC1CCCCO1
InChIInChI=1S/C20H38O4Si/c1-20(2,3)25(4,5)24-17-14-18(21)12-8-6-7-10-15-22-19-13-9-11-16-23-19/h6-8,10,18-19,21H,9,11-17H2,1-5H3/b8-6-,10-7+/t18-,19?/m0/s1
InChIKeySXNHLKBFFZLNJT-RWRHSKDNSA-N
XLogP4.80
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.61
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[(3E)-4-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
CID 134973048
(E,2R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylidene-7-(oxan-2-yloxy)hept-5-en-2-ol
CID 42631871
Tert-butyl-dimethyl-[4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxysilane
CID 12692810
tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane
CID 59560724
tert-butyl-dimethyl-[(4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane
CID 66603327
tert-butyl-dimethyl-[(Z,4S)-4-(oxan-2-yloxy)pent-2-enoxy]silane;(Z,4S)-4-(oxan-2-yloxy)pent-2-en-1-ol
CID 158715733
(2E,4Z)-5-[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol
CID 162773773
(2E,4Z)-5-[(2R,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-propan-2-yloxyoxan-2-yl]penta-2,4-dien-1-ol
CID 173978713
(Z)-3-[(4S,5S)-5-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-(oxan-2-yloxy)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 10788081
(2E,4E,6E,9S,10E)-9-[tert-butyl(dimethyl)silyl]oxy-12-(oxan-2-yloxy)dodeca-2,4,6,10-tetraenoic acid
CID 10905958
tert-butyl-[(3E)-4-[(2R,4S,5R)-5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
CID 11067928
(E,2S)-1-[tert-butyl(dimethyl)silyl]oxy-6-(oxan-2-yloxy)hex-4-en-2-ol
CID 53309485

Frequently Asked Questions

What is the IUPAC name of (3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol?
The IUPAC name of (3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol (CID 25098859) is (3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol.
What is the SMILES notation for (3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol?
The canonical SMILES for (3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol is CC(C)(C)[Si](C)(C)OCC[C@@H](O)C/C=C\C=C\COC1CCCCO1.
What is the InChIKey of (3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol?
The InChIKey is SXNHLKBFFZLNJT-RWRHSKDNSA-N. The full InChI is InChI=1S/C20H38O4Si/c1-20(2,3)25(4,5)24-17-14-18(21)12-8-6-7-10-15-22-19-13-9-11-16-23-19/h6-8,10,18-19,21H,9,11-17H2,1-5H3/b8-6-,10-7+/t18-,19?/m0/s1.
What are the key properties of (3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol?
(3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol has a molecular weight of 370.61 g/mol, XLogP of 4.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-9-(oxan-2-yloxy)nona-5,7-dien-3-ol is sourced from PubChem (CID 25098859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).