(3-ethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol

C9H14O2 — CID 22618953

IUPAC(3-ethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol
SMILESCCC1C2C=CC(O2)C1CO
InChIInChI=1S/C9H14O2/c1-2-6-7(5-10)9-4-3-8(6)11-9/h3-4,6-10H,2,5H2,1H3
InChIKeyYFFBMJBHNQEFQP-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.96
Rot. Bonds2

About (3-ethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol

(3-ethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol (PubChem CID 22618953) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (3-ethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol.

Molecular Properties

Compound Name(3-ethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol
PubChem CID22618953
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(3-ethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol
SMILESCCC1C2C=CC(O2)C1CO
InChIInChI=1S/C9H14O2/c1-2-6-7(5-10)9-4-3-8(6)11-9/h3-4,6-10H,2,5H2,1H3
InChIKeyYFFBMJBHNQEFQP-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol?
The IUPAC name of (3-ethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol (CID 22618953) is (3-ethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol.
What is the SMILES notation for (3-ethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol?
The canonical SMILES for (3-ethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol is CCC1C2C=CC(O2)C1CO.
What is the InChIKey of (3-ethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol?
The InChIKey is YFFBMJBHNQEFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-6-7(5-10)9-4-3-8(6)11-9/h3-4,6-10H,2,5H2,1H3.
What are the key properties of (3-ethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol?
(3-ethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol has a molecular weight of 154.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl)methanol is sourced from PubChem (CID 22618953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).