(E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol

C13H20OSi — CID 11775664

IUPAC(E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol
SMILESCC[C@H](O)/C=C/[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H20OSi/c1-4-12(14)10-11-15(2,3)13-8-6-5-7-9-13/h5-12,14H,4H2,1-3H3/b11-10+/t12-/m0/s1
InChIKeyWGAOINODIYWBOI-IIANPFDCSA-N
MW220.39 g/mol
LogP2.47
Rot. Bonds4

About (E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol

(E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol (PubChem CID 11775664) has the molecular formula C13H20OSi and a molecular weight of 220.39 g/mol. Its IUPAC name is (E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol.

Molecular Properties

Compound Name(E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol
PubChem CID11775664
Molecular FormulaC13H20OSi
Molecular Weight220.39 g/mol
Exact Mass220.13
IUPAC Name(E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol
SMILESCC[C@H](O)/C=C/[Si](C)(C)c1ccccc1
InChIInChI=1S/C13H20OSi/c1-4-12(14)10-11-15(2,3)13-8-6-5-7-9-13/h5-12,14H,4H2,1-3H3/b11-10+/t12-/m0/s1
InChIKeyWGAOINODIYWBOI-IIANPFDCSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3,5-dimethylhex-1-enyl]-dimethyl-phenylsilane
CID 10514612
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
(1E,3S,4R,6E)-1-[dimethyl(phenyl)silyl]-3-methyl-7-phenylhepta-1,6-dien-4-ol
CID 134947259
3-[(Z)-2-[dimethyl(phenyl)silyl]ethenyl]nonan-1-ol
CID 177445393
(1E,3S,4S)-4-tert-butyl-1-[dimethyl(phenyl)silyl]hexa-1,5-dien-3-ol
CID 102328927
dimethyl-penta-1,4-dienyl-phenylsilane
CID 69411193
dimethyl-pent-1-enyl-phenylsilane
CID 154195285
dimethyl-[(1Z,5Z)-7-methyl-4-methylideneocta-1,5-dienyl]-phenylsilane
CID 11086845
(E)-3-[dimethyl(phenyl)silyl]prop-2-enoic acid
CID 10104447
(Z)-6-[dimethyl(phenyl)silyl]hex-5-en-2-one
CID 56926435
trichloro-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]silane
CID 23269562
(2E)-2-[[dimethyl(phenyl)silyl]methylidene]butanal
CID 134895963

Frequently Asked Questions

What is the IUPAC name of (E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol?
The IUPAC name of (E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol (CID 11775664) is (E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol.
What is the SMILES notation for (E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol?
The canonical SMILES for (E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol is CC[C@H](O)/C=C/[Si](C)(C)c1ccccc1.
What is the InChIKey of (E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol?
The InChIKey is WGAOINODIYWBOI-IIANPFDCSA-N. The full InChI is InChI=1S/C13H20OSi/c1-4-12(14)10-11-15(2,3)13-8-6-5-7-9-13/h5-12,14H,4H2,1-3H3/b11-10+/t12-/m0/s1.
What are the key properties of (E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol?
(E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol has a molecular weight of 220.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-1-[dimethyl(phenyl)silyl]pent-1-en-3-ol is sourced from PubChem (CID 11775664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).