3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol

C12H25NO3 — CID 106353639

IUPAC3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol
SMILESCOC1(OC)CN(C(CCO)C(C)(C)C)C1
InChIInChI=1S/C12H25NO3/c1-11(2,3)10(6-7-14)13-8-12(9-13,15-4)16-5/h10,14H,6-9H2,1-5H3
InChIKeyHHVSJBMUFHWPSN-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.09
Rot. Bonds5

About 3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol

3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol (PubChem CID 106353639) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol
PubChem CID106353639
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol
SMILESCOC1(OC)CN(C(CCO)C(C)(C)C)C1
InChIInChI=1S/C12H25NO3/c1-11(2,3)10(6-7-14)13-8-12(9-13,15-4)16-5/h10,14H,6-9H2,1-5H3
InChIKeyHHVSJBMUFHWPSN-UHFFFAOYSA-N
XLogP1.09
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.09
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

3-(3,3-dimethoxyazetidin-1-yl)-4-methylpentan-1-ol
CID 106353557
(2R)-2-(3,3-dimethoxyazetidin-1-yl)propan-1-ol
CID 104550430
4,4-dimethyl-3-(3-propan-2-ylazetidin-1-yl)pentan-1-ol
CID 106353579
4,4-dimethyl-3-(3-propylazetidin-1-yl)pentan-1-ol
CID 106353580
2-[(3,3-dimethoxyazetidin-1-yl)methyl]-2-ethylbutan-1-ol
CID 106253777
3-(2,5-dimethylpyrrol-1-yl)-4,4-dimethylpentan-1-ol
CID 106353576
3-(3,3-diethylazetidin-1-yl)-4-methoxybutan-1-ol
CID 106159245
3,3-dimethyl-2-(4-methylpiperazin-1-yl)butan-1-ol
CID 116860253
3-amino-1-(1-hydroxy-4,4-dimethylpentan-3-yl)piperidin-2-one
CID 106357937
1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpyrrolidin-3-ol
CID 103355425
3-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-azabicyclo[3.2.1]octane-2,4-dione
CID 106353562
3,4-ditert-butylhexane-1,6-diol
CID 174460247

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol (CID 106353639) is 3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol is COC1(OC)CN(C(CCO)C(C)(C)C)C1.
What is the InChIKey of 3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol?
The InChIKey is HHVSJBMUFHWPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-11(2,3)10(6-7-14)13-8-12(9-13,15-4)16-5/h10,14H,6-9H2,1-5H3.
What are the key properties of 3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol?
3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethoxyazetidin-1-yl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106353639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).