7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol

C9H14O2 — CID 130145119

IUPAC7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESCOCC1C2C=CC1C(O)C2
InChIInChI=1S/C9H14O2/c1-11-5-8-6-2-3-7(8)9(10)4-6/h2-3,6-10H,4-5H2,1H3
InChIKeyYNZNWYZZHLCAQQ-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.82
Rot. Bonds2

About 7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol

7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 130145119) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol
PubChem CID130145119
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESCOCC1C2C=CC1C(O)C2
InChIInChI=1S/C9H14O2/c1-11-5-8-6-2-3-7(8)9(10)4-6/h2-3,6-10H,4-5H2,1H3
InChIKeyYNZNWYZZHLCAQQ-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(methoxymethyl)-6-propylbicyclo[2.2.1]hept-2-ene
CID 59748219
9,10-bis(methoxymethyl)tricyclo[4.2.2.02,5]deca-3,7-diene
CID 101038950
9,10-bis(methoxymethyl)tetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 59748363
(1R,2S,4R,7R)-bicyclo[2.2.1]hept-5-ene-2,7-diol
CID 131089287
(1R,4R,7R)-7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
CID 124553090
7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-one
CID 4179838
4-(methoxymethyl)cyclopentane-1,3-diol
CID 174518927
5-ethyl-6-(2-methoxyethyl)bicyclo[2.2.1]hept-2-ene
CID 59748077
(1S,2S,5R,6S)-2-ethyl-5,6-bis(methoxymethyl)cyclohex-3-en-1-ol
CID 10536602
(3aR,6aS)-5-hydroxy-4-(methoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-one
CID 22828472
(1S,2S,4R)-2-(methoxymethyl)-4-methylcyclopentan-1-ol
CID 58944642
[(1S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 23555960

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol (CID 130145119) is 7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol is COCC1C2C=CC1C(O)C2.
What is the InChIKey of 7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is YNZNWYZZHLCAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-11-5-8-6-2-3-7(8)9(10)4-6/h2-3,6-10H,4-5H2,1H3.
What are the key properties of 7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol?
7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 154.21 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)bicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 130145119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).