[3-[(E)-2-methoxyethenyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol

C10H16O3 — CID 13345678

IUPAC[3-[(E)-2-methoxyethenyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol
SMILESCO/C=C/C1C2CCC(O2)C1CO
InChIInChI=1S/C10H16O3/c1-12-5-4-7-8(6-11)10-3-2-9(7)13-10/h4-5,7-11H,2-3,6H2,1H3/b5-4+
InChIKeyXJOHWGJEMHKPLB-SNAWJCMRSA-N
MW184.23 g/mol
LogP0.93
Rot. Bonds3

About [3-[(E)-2-methoxyethenyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol

[3-[(E)-2-methoxyethenyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol (PubChem CID 13345678) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [3-[(E)-2-methoxyethenyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol.

Molecular Properties

Compound Name[3-[(E)-2-methoxyethenyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol
PubChem CID13345678
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[3-[(E)-2-methoxyethenyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol
SMILESCO/C=C/C1C2CCC(O2)C1CO
InChIInChI=1S/C10H16O3/c1-12-5-4-7-8(6-11)10-3-2-9(7)13-10/h4-5,7-11H,2-3,6H2,1H3/b5-4+
InChIKeyXJOHWGJEMHKPLB-SNAWJCMRSA-N
XLogP0.93
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

CID 134957763
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CID 13345688
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CID 23336724
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CID 53675268
CID 53686558
CID 53686558
CID 53879901
CID 53879901
CID 54032875
CID 54032875
CID 54240888
CID 54240888
CID 54270121
CID 54270121
CID 54392417
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CID 54429810
CID 54429810

Frequently Asked Questions

What is the IUPAC name of [3-[(E)-2-methoxyethenyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol?
The IUPAC name of [3-[(E)-2-methoxyethenyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol (CID 13345678) is [3-[(E)-2-methoxyethenyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol.
What is the SMILES notation for [3-[(E)-2-methoxyethenyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol?
The canonical SMILES for [3-[(E)-2-methoxyethenyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol is CO/C=C/C1C2CCC(O2)C1CO.
What is the InChIKey of [3-[(E)-2-methoxyethenyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol?
The InChIKey is XJOHWGJEMHKPLB-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H16O3/c1-12-5-4-7-8(6-11)10-3-2-9(7)13-10/h4-5,7-11H,2-3,6H2,1H3/b5-4+.
What are the key properties of [3-[(E)-2-methoxyethenyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol?
[3-[(E)-2-methoxyethenyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol has a molecular weight of 184.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(E)-2-methoxyethenyl]-7-oxabicyclo[2.2.1]heptan-2-yl]methanol is sourced from PubChem (CID 13345678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).