(1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol

C17H34O2Si — CID 132916242

IUPAC(1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol
SMILESCC(C)=C[C@@H](O)C/C=C\O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O2Si/c1-13(2)12-17(18)10-9-11-19-20(14(3)4,15(5)6)16(7)8/h9,11-12,14-18H,10H2,1-8H3/b11-9-/t17-/m0/s1
InChIKeyFNAABLRLJHRDNV-CCCPALQASA-N
MW298.54 g/mol
LogP5.41
Rot. Bonds8

About (1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol

(1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol (PubChem CID 132916242) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol.

Molecular Properties

Compound Name(1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol
PubChem CID132916242
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol
SMILESCC(C)=C[C@@H](O)C/C=C\O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34O2Si/c1-13(2)12-17(18)10-9-11-19-20(14(3)4,15(5)6)16(7)8/h9,11-12,14-18H,10H2,1-8H3/b11-9-/t17-/m0/s1
InChIKeyFNAABLRLJHRDNV-CCCPALQASA-N
XLogP5.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 12194985
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
(2Z,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]hepta-2,6-dien-1-ol
CID 134950412
tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane
CID 5387042
(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-1-ol
CID 13618185
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxypent-2-en-1-ol
CID 10488936
(2E,4S)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dien-4-ol
CID 11098093
(3S,4S,5Z,8R)-6-[tert-butyl(dimethyl)silyl]-3-methylundeca-1,5-diene-4,8-diol
CID 11209176
(3R,5Z)-7-[tert-butyl(dimethyl)silyl]oxy-5,6-dimethyl-2-tributylstannylhepta-1,5-dien-3-ol
CID 11295937
(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol
CID 11381004
(2E,5E)-2-[2-[tert-butyl(dimethyl)silyl]oxyethylidene]-6,10-dimethylundeca-5,9-diene-1,3-diol
CID 11440071
(1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol
CID 12014235

Frequently Asked Questions

What is the IUPAC name of (1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol?
The IUPAC name of (1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol (CID 132916242) is (1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol.
What is the SMILES notation for (1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol?
The canonical SMILES for (1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol is CC(C)=C[C@@H](O)C/C=C\O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol?
The InChIKey is FNAABLRLJHRDNV-CCCPALQASA-N. The full InChI is InChI=1S/C17H34O2Si/c1-13(2)12-17(18)10-9-11-19-20(14(3)4,15(5)6)16(7)8/h9,11-12,14-18H,10H2,1-8H3/b11-9-/t17-/m0/s1.
What are the key properties of (1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol?
(1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol has a molecular weight of 298.54 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4S)-6-methyl-1-tri(propan-2-yl)silyloxyhepta-1,5-dien-4-ol is sourced from PubChem (CID 132916242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).