4-butan-2-yl-2-propan-2-yloxan-4-ol

C12H24O2 — CID 79445575

IUPAC4-butan-2-yl-2-propan-2-yloxan-4-ol
SMILESCCC(C)C1(O)CCOC(C(C)C)C1
InChIInChI=1S/C12H24O2/c1-5-10(4)12(13)6-7-14-11(8-12)9(2)3/h9-11,13H,5-8H2,1-4H3
InChIKeyPCRAJUBPJJMFKY-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.60
Rot. Bonds3

About 4-butan-2-yl-2-propan-2-yloxan-4-ol

4-butan-2-yl-2-propan-2-yloxan-4-ol (PubChem CID 79445575) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4-butan-2-yl-2-propan-2-yloxan-4-ol.

Molecular Properties

Compound Name4-butan-2-yl-2-propan-2-yloxan-4-ol
PubChem CID79445575
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name4-butan-2-yl-2-propan-2-yloxan-4-ol
SMILESCCC(C)C1(O)CCOC(C(C)C)C1
InChIInChI=1S/C12H24O2/c1-5-10(4)12(13)6-7-14-11(8-12)9(2)3/h9-11,13H,5-8H2,1-4H3
InChIKeyPCRAJUBPJJMFKY-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxy-2-propan-2-yloxan-4-yl)pentanenitrile
CID 79413123
4-(hydroxymethyl)-2-propan-2-yloxan-4-ol
CID 82713696
4-(ethoxymethyl)-2-propan-2-yloxan-4-ol
CID 79567400
1-butan-2-yl-4-propan-2-ylcyclohexan-1-ol
CID 79444321
4-(cyclopentylmethyl)-2-propan-2-yloxan-4-ol
CID 65148777
4-(1-aminopropan-2-yl)-2-methyloxan-4-ol
CID 79126205
4-[1-(aminomethyl)cyclobutyl]-2-propan-2-yloxan-4-ol
CID 79124984
4-[1-(aminomethyl)-4-ethylcyclohexyl]-2-propan-2-yloxan-4-ol
CID 79125187
3-ethyl-1-(4-hydroxy-2-propan-2-yloxan-4-yl)cyclohexane-1-carbonitrile
CID 79132162
4-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-propan-2-yloxan-4-ol
CID 64786024
4-[1-(aminomethyl)-3-ethylcyclohexyl]-2-propan-2-yloxan-4-ol
CID 79125368
1-butan-2-yl-4,4-dimethylcyclohexan-1-ol
CID 79446125

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-propan-2-yloxan-4-ol?
The IUPAC name of 4-butan-2-yl-2-propan-2-yloxan-4-ol (CID 79445575) is 4-butan-2-yl-2-propan-2-yloxan-4-ol.
What is the SMILES notation for 4-butan-2-yl-2-propan-2-yloxan-4-ol?
The canonical SMILES for 4-butan-2-yl-2-propan-2-yloxan-4-ol is CCC(C)C1(O)CCOC(C(C)C)C1.
What is the InChIKey of 4-butan-2-yl-2-propan-2-yloxan-4-ol?
The InChIKey is PCRAJUBPJJMFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-5-10(4)12(13)6-7-14-11(8-12)9(2)3/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 4-butan-2-yl-2-propan-2-yloxan-4-ol?
4-butan-2-yl-2-propan-2-yloxan-4-ol has a molecular weight of 200.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-propan-2-yloxan-4-ol is sourced from PubChem (CID 79445575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).