4-methyl-2-propan-2-yloxane-3,5-diol

C9H18O3 — CID 76796357

IUPAC4-methyl-2-propan-2-yloxane-3,5-diol
SMILESCC(C)C1OCC(O)C(C)C1O
InChIInChI=1S/C9H18O3/c1-5(2)9-8(11)6(3)7(10)4-12-9/h5-11H,4H2,1-3H3
InChIKeyNVVZCHSPISDUMN-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.40
Rot. Bonds1

About 4-methyl-2-propan-2-yloxane-3,5-diol

4-methyl-2-propan-2-yloxane-3,5-diol (PubChem CID 76796357) has the molecular formula C9H18O3 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yloxane-3,5-diol.

Molecular Properties

Compound Name4-methyl-2-propan-2-yloxane-3,5-diol
PubChem CID76796357
Molecular FormulaC9H18O3
Molecular Weight174.24 g/mol
Exact Mass174.13
IUPAC Name4-methyl-2-propan-2-yloxane-3,5-diol
SMILESCC(C)C1OCC(O)C(C)C1O
InChIInChI=1S/C9H18O3/c1-5(2)9-8(11)6(3)7(10)4-12-9/h5-11H,4H2,1-3H3
InChIKeyNVVZCHSPISDUMN-UHFFFAOYSA-N
XLogP0.40
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yloxane-3,5-diol?
The IUPAC name of 4-methyl-2-propan-2-yloxane-3,5-diol (CID 76796357) is 4-methyl-2-propan-2-yloxane-3,5-diol.
What is the SMILES notation for 4-methyl-2-propan-2-yloxane-3,5-diol?
The canonical SMILES for 4-methyl-2-propan-2-yloxane-3,5-diol is CC(C)C1OCC(O)C(C)C1O.
What is the InChIKey of 4-methyl-2-propan-2-yloxane-3,5-diol?
The InChIKey is NVVZCHSPISDUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3/c1-5(2)9-8(11)6(3)7(10)4-12-9/h5-11H,4H2,1-3H3.
What are the key properties of 4-methyl-2-propan-2-yloxane-3,5-diol?
4-methyl-2-propan-2-yloxane-3,5-diol has a molecular weight of 174.24 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yloxane-3,5-diol is sourced from PubChem (CID 76796357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).