2-[2-[(1S,2R,3S,4R)-3-methoxy-2-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dioxolane

C14H24O3 — CID 10728763

IUPAC2-[2-[(1S,2R,3S,4R)-3-methoxy-2-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dioxolane
SMILESCO[C@H]1[C@@H]2CC[C@@H](C2)[C@@]1(C)CCC1OCCO1
InChIInChI=1S/C14H24O3/c1-14(6-5-12-16-7-8-17-12)11-4-3-10(9-11)13(14)15-2/h10-13H,3-9H2,1-2H3/t10-,11+,13+,14-/m1/s1
InChIKeyXWNDTTBHGLJIRX-UVLXDEKHSA-N
MW240.34 g/mol
LogP2.59
Rot. Bonds4

About 2-[2-[(1S,2R,3S,4R)-3-methoxy-2-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dioxolane

2-[2-[(1S,2R,3S,4R)-3-methoxy-2-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dioxolane (PubChem CID 10728763) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-[2-[(1S,2R,3S,4R)-3-methoxy-2-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-[(1S,2R,3S,4R)-3-methoxy-2-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dioxolane
PubChem CID10728763
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-[2-[(1S,2R,3S,4R)-3-methoxy-2-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dioxolane
SMILESCO[C@H]1[C@@H]2CC[C@@H](C2)[C@@]1(C)CCC1OCCO1
InChIInChI=1S/C14H24O3/c1-14(6-5-12-16-7-8-17-12)11-4-3-10(9-11)13(14)15-2/h10-13H,3-9H2,1-2H3/t10-,11+,13+,14-/m1/s1
InChIKeyXWNDTTBHGLJIRX-UVLXDEKHSA-N
XLogP2.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S,2R,3S,4R)-3-methoxy-2-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dioxolane?
The IUPAC name of 2-[2-[(1S,2R,3S,4R)-3-methoxy-2-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dioxolane (CID 10728763) is 2-[2-[(1S,2R,3S,4R)-3-methoxy-2-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dioxolane.
What is the SMILES notation for 2-[2-[(1S,2R,3S,4R)-3-methoxy-2-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dioxolane?
The canonical SMILES for 2-[2-[(1S,2R,3S,4R)-3-methoxy-2-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dioxolane is CO[C@H]1[C@@H]2CC[C@@H](C2)[C@@]1(C)CCC1OCCO1.
What is the InChIKey of 2-[2-[(1S,2R,3S,4R)-3-methoxy-2-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dioxolane?
The InChIKey is XWNDTTBHGLJIRX-UVLXDEKHSA-N. The full InChI is InChI=1S/C14H24O3/c1-14(6-5-12-16-7-8-17-12)11-4-3-10(9-11)13(14)15-2/h10-13H,3-9H2,1-2H3/t10-,11+,13+,14-/m1/s1.
What are the key properties of 2-[2-[(1S,2R,3S,4R)-3-methoxy-2-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dioxolane?
2-[2-[(1S,2R,3S,4R)-3-methoxy-2-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dioxolane has a molecular weight of 240.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S,2R,3S,4R)-3-methoxy-2-methyl-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3-dioxolane is sourced from PubChem (CID 10728763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).