1-(4,4-dimethyl-3,5,8-trioxatricyclo[5.2.1.02,6]decan-9-yl)-3-methylbutan-1-ol

C14H24O4 — CID 23563743

IUPAC1-(4,4-dimethyl-3,5,8-trioxatricyclo[5.2.1.02,6]decan-9-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1OC2CC1C1OC(C)(C)OC21
InChIInChI=1S/C14H24O4/c1-7(2)5-9(15)11-8-6-10(16-11)13-12(8)17-14(3,4)18-13/h7-13,15H,5-6H2,1-4H3
InChIKeyDGZCADKTXKYBSQ-UHFFFAOYSA-N
MW256.34 g/mol
LogP1.70
Rot. Bonds3

About 1-(4,4-dimethyl-3,5,8-trioxatricyclo[5.2.1.02,6]decan-9-yl)-3-methylbutan-1-ol

1-(4,4-dimethyl-3,5,8-trioxatricyclo[5.2.1.02,6]decan-9-yl)-3-methylbutan-1-ol (PubChem CID 23563743) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(4,4-dimethyl-3,5,8-trioxatricyclo[5.2.1.02,6]decan-9-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4,4-dimethyl-3,5,8-trioxatricyclo[5.2.1.02,6]decan-9-yl)-3-methylbutan-1-ol
PubChem CID23563743
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name1-(4,4-dimethyl-3,5,8-trioxatricyclo[5.2.1.02,6]decan-9-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)C1OC2CC1C1OC(C)(C)OC21
InChIInChI=1S/C14H24O4/c1-7(2)5-9(15)11-8-6-10(16-11)13-12(8)17-14(3,4)18-13/h7-13,15H,5-6H2,1-4H3
InChIKeyDGZCADKTXKYBSQ-UHFFFAOYSA-N
XLogP1.70
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-3,5,8-trioxatricyclo[5.2.1.02,6]decan-9-yl)-3-methylbutan-1-ol?
The IUPAC name of 1-(4,4-dimethyl-3,5,8-trioxatricyclo[5.2.1.02,6]decan-9-yl)-3-methylbutan-1-ol (CID 23563743) is 1-(4,4-dimethyl-3,5,8-trioxatricyclo[5.2.1.02,6]decan-9-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 1-(4,4-dimethyl-3,5,8-trioxatricyclo[5.2.1.02,6]decan-9-yl)-3-methylbutan-1-ol?
The canonical SMILES for 1-(4,4-dimethyl-3,5,8-trioxatricyclo[5.2.1.02,6]decan-9-yl)-3-methylbutan-1-ol is CC(C)CC(O)C1OC2CC1C1OC(C)(C)OC21.
What is the InChIKey of 1-(4,4-dimethyl-3,5,8-trioxatricyclo[5.2.1.02,6]decan-9-yl)-3-methylbutan-1-ol?
The InChIKey is DGZCADKTXKYBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-7(2)5-9(15)11-8-6-10(16-11)13-12(8)17-14(3,4)18-13/h7-13,15H,5-6H2,1-4H3.
What are the key properties of 1-(4,4-dimethyl-3,5,8-trioxatricyclo[5.2.1.02,6]decan-9-yl)-3-methylbutan-1-ol?
1-(4,4-dimethyl-3,5,8-trioxatricyclo[5.2.1.02,6]decan-9-yl)-3-methylbutan-1-ol has a molecular weight of 256.34 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-3,5,8-trioxatricyclo[5.2.1.02,6]decan-9-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 23563743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).