(1R,2R,5S,6S)-tricyclo[4.2.1.02,5]non-7-en-3-ol

C9H12O — CID 154814300

IUPAC(1R,2R,5S,6S)-tricyclo[4.2.1.02,5]non-7-en-3-ol
SMILESOC1C[C@@H]2[C@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C9H12O/c10-8-4-7-5-1-2-6(3-5)9(7)8/h1-2,5-10H,3-4H2/t5-,6+,7+,8?,9-/m1/s1
InChIKeyYFMCPIYUZPMGNA-SVBMCEDBSA-N
MW136.19 g/mol
LogP1.19
Rot. Bonds

About (1R,2R,5S,6S)-tricyclo[4.2.1.02,5]non-7-en-3-ol

(1R,2R,5S,6S)-tricyclo[4.2.1.02,5]non-7-en-3-ol (PubChem CID 154814300) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (1R,2R,5S,6S)-tricyclo[4.2.1.02,5]non-7-en-3-ol.

Molecular Properties

Compound Name(1R,2R,5S,6S)-tricyclo[4.2.1.02,5]non-7-en-3-ol
PubChem CID154814300
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(1R,2R,5S,6S)-tricyclo[4.2.1.02,5]non-7-en-3-ol
SMILESOC1C[C@@H]2[C@H]1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C9H12O/c10-8-4-7-5-1-2-6(3-5)9(7)8/h1-2,5-10H,3-4H2/t5-,6+,7+,8?,9-/m1/s1
InChIKeyYFMCPIYUZPMGNA-SVBMCEDBSA-N
XLogP1.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (1R,2R,5S,6S)-tricyclo[4.2.1.02,5]non-7-en-3-ol?
The IUPAC name of (1R,2R,5S,6S)-tricyclo[4.2.1.02,5]non-7-en-3-ol (CID 154814300) is (1R,2R,5S,6S)-tricyclo[4.2.1.02,5]non-7-en-3-ol.
What is the SMILES notation for (1R,2R,5S,6S)-tricyclo[4.2.1.02,5]non-7-en-3-ol?
The canonical SMILES for (1R,2R,5S,6S)-tricyclo[4.2.1.02,5]non-7-en-3-ol is OC1C[C@@H]2[C@H]1[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1R,2R,5S,6S)-tricyclo[4.2.1.02,5]non-7-en-3-ol?
The InChIKey is YFMCPIYUZPMGNA-SVBMCEDBSA-N. The full InChI is InChI=1S/C9H12O/c10-8-4-7-5-1-2-6(3-5)9(7)8/h1-2,5-10H,3-4H2/t5-,6+,7+,8?,9-/m1/s1.
What are the key properties of (1R,2R,5S,6S)-tricyclo[4.2.1.02,5]non-7-en-3-ol?
(1R,2R,5S,6S)-tricyclo[4.2.1.02,5]non-7-en-3-ol has a molecular weight of 136.19 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,6S)-tricyclo[4.2.1.02,5]non-7-en-3-ol is sourced from PubChem (CID 154814300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).