(5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol

C13H26O2Si — CID 11499712

IUPAC(5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
SMILESC=CC(O)C[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-11(14)10-12(9-2)15-16(6,7)13(3,4)5/h8-9,11-12,14H,1-2,10H2,3-7H3/t11?,12-/m1/s1
InChIKeyMXMWVROAAKMWSC-PIJUOVFKSA-N
MW242.43 g/mol
LogP3.50
Rot. Bonds6

About (5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol

(5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol (PubChem CID 11499712) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is (5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol.

Molecular Properties

Compound Name(5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
PubChem CID11499712
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name(5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
SMILESC=CC(O)C[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26O2Si/c1-8-11(14)10-12(9-2)15-16(6,7)13(3,4)5/h8-9,11-12,14H,1-2,10H2,3-7H3/t11?,12-/m1/s1
InChIKeyMXMWVROAAKMWSC-PIJUOVFKSA-N
XLogP3.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.50
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'}

Analyze (5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-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

5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 72985598
dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate
CID 11573263
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
[(4S,6S)-4,6-bis[[tert-butyl(dimethyl)silyl]oxy]octa-1,7-dien-2-yl] acetate
CID 102139753
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-ol
CID 14175294
(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 53381041
(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhept-6-enenitrile
CID 11026012
tert-butyl-dimethyl-(6-methylidenedec-1-en-9-yn-3-yloxy)silane
CID 139252745
(2E)-5-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal
CID 101352532
(3R)-6-[tert-butyl(dimethyl)silyl]oxyhex-1-en-3-ol
CID 45101596
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
CID 156749640

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol?
The IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol (CID 11499712) is (5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol.
What is the SMILES notation for (5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol?
The canonical SMILES for (5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol is C=CC(O)C[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol?
The InChIKey is MXMWVROAAKMWSC-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-8-11(14)10-12(9-2)15-16(6,7)13(3,4)5/h8-9,11-12,14H,1-2,10H2,3-7H3/t11?,12-/m1/s1.
What are the key properties of (5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol?
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol has a molecular weight of 242.43 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol is sourced from PubChem (CID 11499712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).