3,5-dihydroxy-2-methyl-6-propan-2-yloxane-4-carbaldehyde

C10H18O4 — CID 58012617

IUPAC3,5-dihydroxy-2-methyl-6-propan-2-yloxane-4-carbaldehyde
SMILESCC(C)C1OC(C)C(O)C(C=O)C1O
InChIInChI=1S/C10H18O4/c1-5(2)10-9(13)7(4-11)8(12)6(3)14-10/h4-10,12-13H,1-3H3
InChIKeyLZZLNGQIGIACOA-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.03
Rot. Bonds2

About 3,5-dihydroxy-2-methyl-6-propan-2-yloxane-4-carbaldehyde

3,5-dihydroxy-2-methyl-6-propan-2-yloxane-4-carbaldehyde (PubChem CID 58012617) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3,5-dihydroxy-2-methyl-6-propan-2-yloxane-4-carbaldehyde.

Molecular Properties

Compound Name3,5-dihydroxy-2-methyl-6-propan-2-yloxane-4-carbaldehyde
PubChem CID58012617
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name3,5-dihydroxy-2-methyl-6-propan-2-yloxane-4-carbaldehyde
SMILESCC(C)C1OC(C)C(O)C(C=O)C1O
InChIInChI=1S/C10H18O4/c1-5(2)10-9(13)7(4-11)8(12)6(3)14-10/h4-10,12-13H,1-3H3
InChIKeyLZZLNGQIGIACOA-UHFFFAOYSA-N
XLogP-0.03
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-2-methyl-6-propan-2-yloxane-4-carbaldehyde?
The IUPAC name of 3,5-dihydroxy-2-methyl-6-propan-2-yloxane-4-carbaldehyde (CID 58012617) is 3,5-dihydroxy-2-methyl-6-propan-2-yloxane-4-carbaldehyde.
What is the SMILES notation for 3,5-dihydroxy-2-methyl-6-propan-2-yloxane-4-carbaldehyde?
The canonical SMILES for 3,5-dihydroxy-2-methyl-6-propan-2-yloxane-4-carbaldehyde is CC(C)C1OC(C)C(O)C(C=O)C1O.
What is the InChIKey of 3,5-dihydroxy-2-methyl-6-propan-2-yloxane-4-carbaldehyde?
The InChIKey is LZZLNGQIGIACOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-5(2)10-9(13)7(4-11)8(12)6(3)14-10/h4-10,12-13H,1-3H3.
What are the key properties of 3,5-dihydroxy-2-methyl-6-propan-2-yloxane-4-carbaldehyde?
3,5-dihydroxy-2-methyl-6-propan-2-yloxane-4-carbaldehyde has a molecular weight of 202.25 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-2-methyl-6-propan-2-yloxane-4-carbaldehyde is sourced from PubChem (CID 58012617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).