1,1,1-triethoxypropan-2-ol

C9H20O4 — CID 87156976

IUPAC1,1,1-triethoxypropan-2-ol
SMILESCCOC(OCC)(OCC)C(C)O
InChIInChI=1S/C9H20O4/c1-5-11-9(8(4)10,12-6-2)13-7-3/h8,10H,5-7H2,1-4H3
InChIKeyKRLGFPVCLARXRH-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.13
Rot. Bonds7

About 1,1,1-triethoxypropan-2-ol

1,1,1-triethoxypropan-2-ol (PubChem CID 87156976) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1,1,1-triethoxypropan-2-ol.

Molecular Properties

Compound Name1,1,1-triethoxypropan-2-ol
PubChem CID87156976
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1,1,1-triethoxypropan-2-ol
SMILESCCOC(OCC)(OCC)C(C)O
InChIInChI=1S/C9H20O4/c1-5-11-9(8(4)10,12-6-2)13-7-3/h8,10H,5-7H2,1-4H3
InChIKeyKRLGFPVCLARXRH-UHFFFAOYSA-N
XLogP1.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-bromo-1,1,1-triethoxypropane
CID 2779285
(2S)-2-bromo-1,1,1-triethoxypropane
CID 6932530
2-chloro-1,1,1-triethoxypropane
CID 152680412
1-(2-ethoxyethoxy)-1-methoxy-1-(2-methoxyethoxy)propan-2-ol
CID 87550233
2-(hydroxymethyl)-3-(triethoxymethyl)butane-1,4-diol
CID 18699503
(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
3-ethoxy-2,3,4,5-tetrahydroxy-2,4-dimethoxyhexanal
CID 174981520
3,3-diethoxy-2,4-dimethylpentane
CID 11788732
(2S)-4-amino-2-ethoxypentan-2-ol
CID 163736531
azane;ethoxyethane;phosphoric acid;propan-2-ol
CID 174578801
2-ethoxy-2-hydroxypropanediamide
CID 45122517
1,1,1-triethoxy-2-(1,1,1-triethoxybutan-2-yldisulfanyl)butane
CID 150368887

Frequently Asked Questions

What is the IUPAC name of 1,1,1-triethoxypropan-2-ol?
The IUPAC name of 1,1,1-triethoxypropan-2-ol (CID 87156976) is 1,1,1-triethoxypropan-2-ol.
What is the SMILES notation for 1,1,1-triethoxypropan-2-ol?
The canonical SMILES for 1,1,1-triethoxypropan-2-ol is CCOC(OCC)(OCC)C(C)O.
What is the InChIKey of 1,1,1-triethoxypropan-2-ol?
The InChIKey is KRLGFPVCLARXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-5-11-9(8(4)10,12-6-2)13-7-3/h8,10H,5-7H2,1-4H3.
What are the key properties of 1,1,1-triethoxypropan-2-ol?
1,1,1-triethoxypropan-2-ol has a molecular weight of 192.25 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-triethoxypropan-2-ol is sourced from PubChem (CID 87156976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).