1-(3-methylbutan-2-yloxymethyl)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane

C17H28O2 — CID 88977761

IUPAC1-(3-methylbutan-2-yloxymethyl)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane
SMILESC=C1OC2CC3CC1CC(COC(C)C(C)C)(C3)C2
InChIInChI=1S/C17H28O2/c1-11(2)12(3)18-10-17-7-14-5-15(8-17)13(4)19-16(6-14)9-17/h11-12,14-16H,4-10H2,1-3H3
InChIKeyWISDTPRYFYEZQQ-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.16
Rot. Bonds4

About 1-(3-methylbutan-2-yloxymethyl)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane

1-(3-methylbutan-2-yloxymethyl)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane (PubChem CID 88977761) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yloxymethyl)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane.

Molecular Properties

Compound Name1-(3-methylbutan-2-yloxymethyl)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane
PubChem CID88977761
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name1-(3-methylbutan-2-yloxymethyl)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane
SMILESC=C1OC2CC3CC1CC(COC(C)C(C)C)(C3)C2
InChIInChI=1S/C17H28O2/c1-11(2)12(3)18-10-17-7-14-5-15(8-17)13(4)19-16(6-14)9-17/h11-12,14-16H,4-10H2,1-3H3
InChIKeyWISDTPRYFYEZQQ-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yloxymethyl)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane?
The IUPAC name of 1-(3-methylbutan-2-yloxymethyl)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane (CID 88977761) is 1-(3-methylbutan-2-yloxymethyl)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane.
What is the SMILES notation for 1-(3-methylbutan-2-yloxymethyl)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane?
The canonical SMILES for 1-(3-methylbutan-2-yloxymethyl)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane is C=C1OC2CC3CC1CC(COC(C)C(C)C)(C3)C2.
What is the InChIKey of 1-(3-methylbutan-2-yloxymethyl)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane?
The InChIKey is WISDTPRYFYEZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-11(2)12(3)18-10-17-7-14-5-15(8-17)13(4)19-16(6-14)9-17/h11-12,14-16H,4-10H2,1-3H3.
What are the key properties of 1-(3-methylbutan-2-yloxymethyl)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane?
1-(3-methylbutan-2-yloxymethyl)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane has a molecular weight of 264.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yloxymethyl)-5-methylidene-4-oxatricyclo[4.3.1.13,8]undecane is sourced from PubChem (CID 88977761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).