2,2-dimethyl-3-propan-2-yloxypropan-1-ol

C8H18O2 — CID 12698286

IUPAC2,2-dimethyl-3-propan-2-yloxypropan-1-ol
SMILESCC(C)OCC(C)(C)CO
InChIInChI=1S/C8H18O2/c1-7(2)10-6-8(3,4)5-9/h7,9H,5-6H2,1-4H3
InChIKeyHPAHMHPNTXBINA-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.43
Rot. Bonds4

About 2,2-dimethyl-3-propan-2-yloxypropan-1-ol

2,2-dimethyl-3-propan-2-yloxypropan-1-ol (PubChem CID 12698286) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is 2,2-dimethyl-3-propan-2-yloxypropan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-propan-2-yloxypropan-1-ol
PubChem CID12698286
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name2,2-dimethyl-3-propan-2-yloxypropan-1-ol
SMILESCC(C)OCC(C)(C)CO
InChIInChI=1S/C8H18O2/c1-7(2)10-6-8(3,4)5-9/h7,9H,5-6H2,1-4H3
InChIKeyHPAHMHPNTXBINA-UHFFFAOYSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dipentaerythritol
CID 31352
Dipropylene glycol mono-tert-butyl ether
CID 4077517
3,3'-Dihydroxydibutyl ether
CID 92141
3-Isopropoxy-1-propanol
CID 99378
3-[(1-Tert-butoxypropan-2-yl)oxy]propan-1-ol
CID 164333
3-(3-Ethoxypropoxy)propan-1-ol
CID 85087
1-Butanol, 3,3'-oxybis-
CID 171333
1-Butanol, 3-(3-hydroxybutoxy)-
CID 171694
Poly[oxy(methyl-1,2-ethanediyl)], alpha,alpha'-(2,2-dimethyl-1,3-propanediyl)bis[omega-hydroxy-
CID 44144919
4-(Tert-butoxy)butan-2-ol
CID 22352708
3-Methoxy-2-(methoxymethyl)-2-methylpropan-1-ol
CID 542357
(2R)-3-(tert-butoxy)-2-methylpropan-1-ol
CID 12536780

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-propan-2-yloxypropan-1-ol?
The IUPAC name of 2,2-dimethyl-3-propan-2-yloxypropan-1-ol (CID 12698286) is 2,2-dimethyl-3-propan-2-yloxypropan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-propan-2-yloxypropan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-propan-2-yloxypropan-1-ol is CC(C)OCC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-propan-2-yloxypropan-1-ol?
The InChIKey is HPAHMHPNTXBINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O2/c1-7(2)10-6-8(3,4)5-9/h7,9H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-3-propan-2-yloxypropan-1-ol?
2,2-dimethyl-3-propan-2-yloxypropan-1-ol has a molecular weight of 146.23 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-propan-2-yloxypropan-1-ol is sourced from PubChem (CID 12698286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).