3-(2,4-dihydro-1,3-benzoxazin-3-yl)propyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane

C17H29NO2Si — CID 143809169

IUPAC3-(2,4-dihydro-1,3-benzoxazin-3-yl)propyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane
SMILESCC(C)(C)O[Si](C)(C)CCCN1COc2ccccc2C1
InChIInChI=1S/C17H29NO2Si/c1-17(2,3)20-21(4,5)12-8-11-18-13-15-9-6-7-10-16(15)19-14-18/h6-7,9-10H,8,11-14H2,1-5H3
InChIKeyKSMCRPQNLTXOSS-UHFFFAOYSA-N
MW307.51 g/mol
LogP4.25
Rot. Bonds5

About 3-(2,4-dihydro-1,3-benzoxazin-3-yl)propyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane

3-(2,4-dihydro-1,3-benzoxazin-3-yl)propyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane (PubChem CID 143809169) has the molecular formula C17H29NO2Si and a molecular weight of 307.51 g/mol. Its IUPAC name is 3-(2,4-dihydro-1,3-benzoxazin-3-yl)propyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane.

Molecular Properties

Compound Name3-(2,4-dihydro-1,3-benzoxazin-3-yl)propyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane
PubChem CID143809169
Molecular FormulaC17H29NO2Si
Molecular Weight307.51 g/mol
Exact Mass307.20
IUPAC Name3-(2,4-dihydro-1,3-benzoxazin-3-yl)propyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane
SMILESCC(C)(C)O[Si](C)(C)CCCN1COc2ccccc2C1
InChIInChI=1S/C17H29NO2Si/c1-17(2,3)20-21(4,5)12-8-11-18-13-15-9-6-7-10-16(15)19-14-18/h6-7,9-10H,8,11-14H2,1-5H3
InChIKeyKSMCRPQNLTXOSS-UHFFFAOYSA-N
XLogP4.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dihydro-1,3-benzoxazin-3-ylmethyl)-2,4-dihydro-1,3-benzoxazine;ethane
CID 162155104
4-(2,4-dihydro-1,3-benzoxazin-3-yl)butyl prop-2-enoate
CID 139929905
[dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silyl]oxy-dimethyl-[3-(8-prop-2-enyl-2,4-dihydro-1,3-benzoxazin-3-yl)propyl]silane
CID 132934355
3-[8-(6-tert-butyl-2,4-dihydro-1,3-benzoxazin-3-yl)octyl]-6-[3-[8-(6-tert-butyl-2,4-dihydro-1,3-benzoxazin-3-yl)octyl]-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine
CID 139547088
3-ethyl-2,4-dihydro-1,3-benzoxazine;phenol
CID 174538991
3-[2-(2,4,6,7-tetrahydro-1,3-benzoxazin-3-yl)ethyl]-2,4-dihydro-1,3-benzoxazine
CID 167110408
6-bromo-3-[8-(6-bromo-2,4-dihydro-1,3-benzoxazin-3-yl)octyl]-2,4-dihydro-1,3-benzoxazine
CID 139547089
4-[6-[1-phenyl-1-[3-(3-sulfanylbutyl)-2,4-dihydro-1,3-benzoxazin-6-yl]ethyl]-2,4-dihydro-1,3-benzoxazin-3-yl]butane-2-thiol
CID 171401322
4-propyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 121184859
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,2-dimethylbutan-1-amine
CID 65247542
5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pentan-2-ol
CID 55160022
4-(6-phenyl-2,4-dihydro-1,3-benzoxazin-3-yl)butan-1-amine
CID 139929910

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydro-1,3-benzoxazin-3-yl)propyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane?
The IUPAC name of 3-(2,4-dihydro-1,3-benzoxazin-3-yl)propyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane (CID 143809169) is 3-(2,4-dihydro-1,3-benzoxazin-3-yl)propyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane.
What is the SMILES notation for 3-(2,4-dihydro-1,3-benzoxazin-3-yl)propyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane?
The canonical SMILES for 3-(2,4-dihydro-1,3-benzoxazin-3-yl)propyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane is CC(C)(C)O[Si](C)(C)CCCN1COc2ccccc2C1.
What is the InChIKey of 3-(2,4-dihydro-1,3-benzoxazin-3-yl)propyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane?
The InChIKey is KSMCRPQNLTXOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2Si/c1-17(2,3)20-21(4,5)12-8-11-18-13-15-9-6-7-10-16(15)19-14-18/h6-7,9-10H,8,11-14H2,1-5H3.
What are the key properties of 3-(2,4-dihydro-1,3-benzoxazin-3-yl)propyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane?
3-(2,4-dihydro-1,3-benzoxazin-3-yl)propyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane has a molecular weight of 307.51 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydro-1,3-benzoxazin-3-yl)propyl-dimethyl-[(2-methylpropan-2-yl)oxy]silane is sourced from PubChem (CID 143809169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).