(7R)-1-ethyl-4,6,7-trimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol

C11H20O3 — CID 102303118

IUPAC(7R)-1-ethyl-4,6,7-trimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol
SMILESCCC12OCC(C)C(O1)C(C)[C@@]2(C)O
InChIInChI=1S/C11H20O3/c1-5-11-10(4,12)8(3)9(14-11)7(2)6-13-11/h7-9,12H,5-6H2,1-4H3/t7?,8?,9?,10-,11?/m1/s1
InChIKeySEVMCDPBXDAOTB-IYGUQASQSA-N
MW200.28 g/mol
LogP1.54
Rot. Bonds1

About (7R)-1-ethyl-4,6,7-trimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol

(7R)-1-ethyl-4,6,7-trimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol (PubChem CID 102303118) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (7R)-1-ethyl-4,6,7-trimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol.

Molecular Properties

Compound Name(7R)-1-ethyl-4,6,7-trimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol
PubChem CID102303118
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(7R)-1-ethyl-4,6,7-trimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol
SMILESCCC12OCC(C)C(O1)C(C)[C@@]2(C)O
InChIInChI=1S/C11H20O3/c1-5-11-10(4,12)8(3)9(14-11)7(2)6-13-11/h7-9,12H,5-6H2,1-4H3/t7?,8?,9?,10-,11?/m1/s1
InChIKeySEVMCDPBXDAOTB-IYGUQASQSA-N
XLogP1.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7R)-1-ethyl-4,6,7-trimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol?
The IUPAC name of (7R)-1-ethyl-4,6,7-trimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol (CID 102303118) is (7R)-1-ethyl-4,6,7-trimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol.
What is the SMILES notation for (7R)-1-ethyl-4,6,7-trimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol?
The canonical SMILES for (7R)-1-ethyl-4,6,7-trimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol is CCC12OCC(C)C(O1)C(C)[C@@]2(C)O.
What is the InChIKey of (7R)-1-ethyl-4,6,7-trimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol?
The InChIKey is SEVMCDPBXDAOTB-IYGUQASQSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-11-10(4,12)8(3)9(14-11)7(2)6-13-11/h7-9,12H,5-6H2,1-4H3/t7?,8?,9?,10-,11?/m1/s1.
What are the key properties of (7R)-1-ethyl-4,6,7-trimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol?
(7R)-1-ethyl-4,6,7-trimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol has a molecular weight of 200.28 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1-ethyl-4,6,7-trimethyl-2,8-dioxabicyclo[3.2.1]octan-7-ol is sourced from PubChem (CID 102303118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).