(7-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-hydroxyacetate

C18H30O5 — CID 70830144

IUPAC(7-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-hydroxyacetate
SMILESCOC1C2C(C)CCC2C2(C)OC1(C(C)C)CC2OC(=O)CO
InChIInChI=1S/C18H30O5/c1-10(2)18-8-13(22-14(20)9-19)17(4,23-18)12-7-6-11(3)15(12)16(18)21-5/h10-13,15-16,19H,6-9H2,1-5H3
InChIKeyBVRZMQGXJNVPSV-UHFFFAOYSA-N
MW326.43 g/mol
LogP2.16
Rot. Bonds4

About (7-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-hydroxyacetate

(7-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-hydroxyacetate (PubChem CID 70830144) has the molecular formula C18H30O5 and a molecular weight of 326.43 g/mol. Its IUPAC name is (7-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-hydroxyacetate.

Molecular Properties

Compound Name(7-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-hydroxyacetate
PubChem CID70830144
Molecular FormulaC18H30O5
Molecular Weight326.43 g/mol
Exact Mass326.21
IUPAC Name(7-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-hydroxyacetate
SMILESCOC1C2C(C)CCC2C2(C)OC1(C(C)C)CC2OC(=O)CO
InChIInChI=1S/C18H30O5/c1-10(2)18-8-13(22-14(20)9-19)17(4,23-18)12-7-6-11(3)15(12)16(18)21-5/h10-13,15-16,19H,6-9H2,1-5H3
InChIKeyBVRZMQGXJNVPSV-UHFFFAOYSA-N
XLogP2.16
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-hydroxyacetate?
The IUPAC name of (7-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-hydroxyacetate (CID 70830144) is (7-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-hydroxyacetate.
What is the SMILES notation for (7-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-hydroxyacetate?
The canonical SMILES for (7-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-hydroxyacetate is COC1C2C(C)CCC2C2(C)OC1(C(C)C)CC2OC(=O)CO.
What is the InChIKey of (7-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-hydroxyacetate?
The InChIKey is BVRZMQGXJNVPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O5/c1-10(2)18-8-13(22-14(20)9-19)17(4,23-18)12-7-6-11(3)15(12)16(18)21-5/h10-13,15-16,19H,6-9H2,1-5H3.
What are the key properties of (7-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-hydroxyacetate?
(7-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-hydroxyacetate has a molecular weight of 326.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-10-yl) 2-hydroxyacetate is sourced from PubChem (CID 70830144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).