(1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl)methanol

C10H14O2 — CID 72789571

IUPAC(1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl)methanol
SMILESCOC12C3C=CC1C2C(CO)C3
InChIInChI=1S/C10H14O2/c1-12-10-7-2-3-8(10)9(10)6(4-7)5-11/h2-3,6-9,11H,4-5H2,1H3
InChIKeyJDGBCXMLMPSABJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.82
Rot. Bonds2

About (1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl)methanol

(1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl)methanol (PubChem CID 72789571) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl)methanol.

Molecular Properties

Compound Name(1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl)methanol
PubChem CID72789571
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl)methanol
SMILESCOC12C3C=CC1C2C(CO)C3
InChIInChI=1S/C10H14O2/c1-12-10-7-2-3-8(10)9(10)6(4-7)5-11/h2-3,6-9,11H,4-5H2,1H3
InChIKeyJDGBCXMLMPSABJ-UHFFFAOYSA-N
XLogP0.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
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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Frequently Asked Questions

What is the IUPAC name of (1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl)methanol?
The IUPAC name of (1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl)methanol (CID 72789571) is (1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl)methanol.
What is the SMILES notation for (1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl)methanol?
The canonical SMILES for (1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl)methanol is COC12C3C=CC1C2C(CO)C3.
What is the InChIKey of (1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl)methanol?
The InChIKey is JDGBCXMLMPSABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-12-10-7-2-3-8(10)9(10)6(4-7)5-11/h2-3,6-9,11H,4-5H2,1H3.
What are the key properties of (1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl)methanol?
(1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl)methanol has a molecular weight of 166.22 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 (1-methoxy-3-tricyclo[3.3.0.02,8]oct-6-enyl)methanol is sourced from PubChem (CID 72789571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).