3-methyl-1-propan-2-yloxybutane;propane-1,2-diol

C11H26O3 — CID 88620872

IUPAC3-methyl-1-propan-2-yloxybutane;propane-1,2-diol
SMILESCC(C)CCOC(C)C.CC(O)CO
InChIInChI=1S/C8H18O.C3H8O2/c1-7(2)5-6-9-8(3)4;1-3(5)2-4/h7-8H,5-6H2,1-4H3;3-5H,2H2,1H3
InChIKeyYPBUCVCECBSKDW-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.82
Rot. Bonds5

About 3-methyl-1-propan-2-yloxybutane;propane-1,2-diol

3-methyl-1-propan-2-yloxybutane;propane-1,2-diol (PubChem CID 88620872) has the molecular formula C11H26O3 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yloxybutane;propane-1,2-diol.

Molecular Properties

Compound Name3-methyl-1-propan-2-yloxybutane;propane-1,2-diol
PubChem CID88620872
Molecular FormulaC11H26O3
Molecular Weight206.33 g/mol
Exact Mass206.19
IUPAC Name3-methyl-1-propan-2-yloxybutane;propane-1,2-diol
SMILESCC(C)CCOC(C)C.CC(O)CO
InChIInChI=1S/C8H18O.C3H8O2/c1-7(2)5-6-9-8(3)4;1-3(5)2-4/h7-8H,5-6H2,1-4H3;3-5H,2H2,1H3
InChIKeyYPBUCVCECBSKDW-UHFFFAOYSA-N
XLogP1.82
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-propan-2-yloxyethyl)propane-1,3-diol
CID 79450702
3-methylbutoxymethanediol
CID 54490534
4-methyl-2-(2-propan-2-yloxyethyl)pentan-1-ol
CID 66060463
4-propan-2-yloxy-2-sulfanylbutan-1-ol
CID 19756010
propane-1,2-diol
CID 23506506
2-[2-[2-(3-methylbutoxy)propoxy]propoxy]propan-1-ol
CID 87594650
methoxymethane;propane-1,2-diol
CID 23435252
CID 160650971
CID 160650971
propane-1,2-diol;silver
CID 158521790
3-methyl-1-propan-2-yloxybutane;4-methyl-N-propan-2-ylpentan-1-amine
CID 157036014
1,2-dimethoxyethane;propane-1,2-diol
CID 87359366
(2S)-1-[methyl(2-propan-2-yloxyethyl)amino]propan-2-ol
CID 103935283

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yloxybutane;propane-1,2-diol?
The IUPAC name of 3-methyl-1-propan-2-yloxybutane;propane-1,2-diol (CID 88620872) is 3-methyl-1-propan-2-yloxybutane;propane-1,2-diol.
What is the SMILES notation for 3-methyl-1-propan-2-yloxybutane;propane-1,2-diol?
The canonical SMILES for 3-methyl-1-propan-2-yloxybutane;propane-1,2-diol is CC(C)CCOC(C)C.CC(O)CO.
What is the InChIKey of 3-methyl-1-propan-2-yloxybutane;propane-1,2-diol?
The InChIKey is YPBUCVCECBSKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C3H8O2/c1-7(2)5-6-9-8(3)4;1-3(5)2-4/h7-8H,5-6H2,1-4H3;3-5H,2H2,1H3.
What are the key properties of 3-methyl-1-propan-2-yloxybutane;propane-1,2-diol?
3-methyl-1-propan-2-yloxybutane;propane-1,2-diol has a molecular weight of 206.33 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yloxybutane;propane-1,2-diol is sourced from PubChem (CID 88620872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).