[3-(6-hydroxycyclohexa-2,4-dien-1-yl)propyl-methoxysilyl]formaldehyde

C11H18O3Si — CID 163501112

IUPAC[3-(6-hydroxycyclohexa-2,4-dien-1-yl)propyl-methoxysilyl]formaldehyde
SMILESCO[SiH](C=O)CCCC1C=CC=CC1O
InChIInChI=1S/C11H18O3Si/c1-14-15(9-12)8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7,9-11,13,15H,4,6,8H2,1H3
InChIKeyCUUOJQRWFDFVCB-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.01
Rot. Bonds6

About [3-(6-hydroxycyclohexa-2,4-dien-1-yl)propyl-methoxysilyl]formaldehyde

[3-(6-hydroxycyclohexa-2,4-dien-1-yl)propyl-methoxysilyl]formaldehyde (PubChem CID 163501112) has the molecular formula C11H18O3Si and a molecular weight of 226.35 g/mol. Its IUPAC name is [3-(6-hydroxycyclohexa-2,4-dien-1-yl)propyl-methoxysilyl]formaldehyde.

Molecular Properties

Compound Name[3-(6-hydroxycyclohexa-2,4-dien-1-yl)propyl-methoxysilyl]formaldehyde
PubChem CID163501112
Molecular FormulaC11H18O3Si
Molecular Weight226.35 g/mol
Exact Mass226.10
IUPAC Name[3-(6-hydroxycyclohexa-2,4-dien-1-yl)propyl-methoxysilyl]formaldehyde
SMILESCO[SiH](C=O)CCCC1C=CC=CC1O
InChIInChI=1S/C11H18O3Si/c1-14-15(9-12)8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7,9-11,13,15H,4,6,8H2,1H3
InChIKeyCUUOJQRWFDFVCB-UHFFFAOYSA-N
XLogP1.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;6-(hydroxymethyl)cyclohexa-2,4-dien-1-ol
CID 145169284
2-(6-methoxycyclohexa-2,4-dien-1-yl)ethanamine
CID 118124509
(6-methoxycyclohexa-2,4-dien-1-yl)methanol
CID 146644669
acetic acid;cyclohexa-3,5-diene-1,2-diol
CID 71339851
methyl 6-hydroxycyclohexa-2,4-diene-1-sulfinate
CID 166697784
[(1S,6R)-6-(methoxycarbonyloxymethyl)cyclohexa-2,4-dien-1-yl]methyl methyl carbonate
CID 102174480
cyclopenta-2,4-dien-1-yl(dimethoxy)silane;methanamine
CID 174272062
6-[6-[(Z)-but-1-enyl]cyclohexa-2,4-dien-1-yl]hexanoic acid
CID 101176098
4-[(1E,6E)-7-(4-hydroxy-5-methoxycyclohex-2-en-1-yl)hepta-1,6-dienyl]-6-methoxycyclohex-2-en-1-ol
CID 157095843
2-cyclopenta-2,4-dien-1-ylethyl(diethoxy)silane
CID 154431243
5,6-diethylcyclohexa-1,3-diene
CID 556515
dichlorocobalt;bis(6-[(4-methylanilino)methyl]cyclohexa-2,4-dien-1-ol)
CID 5238937

Frequently Asked Questions

What is the IUPAC name of [3-(6-hydroxycyclohexa-2,4-dien-1-yl)propyl-methoxysilyl]formaldehyde?
The IUPAC name of [3-(6-hydroxycyclohexa-2,4-dien-1-yl)propyl-methoxysilyl]formaldehyde (CID 163501112) is [3-(6-hydroxycyclohexa-2,4-dien-1-yl)propyl-methoxysilyl]formaldehyde.
What is the SMILES notation for [3-(6-hydroxycyclohexa-2,4-dien-1-yl)propyl-methoxysilyl]formaldehyde?
The canonical SMILES for [3-(6-hydroxycyclohexa-2,4-dien-1-yl)propyl-methoxysilyl]formaldehyde is CO[SiH](C=O)CCCC1C=CC=CC1O.
What is the InChIKey of [3-(6-hydroxycyclohexa-2,4-dien-1-yl)propyl-methoxysilyl]formaldehyde?
The InChIKey is CUUOJQRWFDFVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3Si/c1-14-15(9-12)8-4-6-10-5-2-3-7-11(10)13/h2-3,5,7,9-11,13,15H,4,6,8H2,1H3.
What are the key properties of [3-(6-hydroxycyclohexa-2,4-dien-1-yl)propyl-methoxysilyl]formaldehyde?
[3-(6-hydroxycyclohexa-2,4-dien-1-yl)propyl-methoxysilyl]formaldehyde has a molecular weight of 226.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-hydroxycyclohexa-2,4-dien-1-yl)propyl-methoxysilyl]formaldehyde is sourced from PubChem (CID 163501112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).