(1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol

C10H12O — CID 10898854

IUPAC(1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
SMILESOC1C=CC2C1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C10H12O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-4,6-11H,5H2/t6-,7+,8?,9?,10?/m1/s1
InChIKeySIRXYHBXRXZGJQ-LXWZSJDBSA-N
MW148.20 g/mol
LogP1.36
Rot. Bonds

About (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol

(1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol (PubChem CID 10898854) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol.

Molecular Properties

Compound Name(1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
PubChem CID10898854
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name(1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
SMILESOC1C=CC2C1[C@H]1C=C[C@@H]2C1
InChIInChI=1S/C10H12O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-4,6-11H,5H2/t6-,7+,8?,9?,10?/m1/s1
InChIKeySIRXYHBXRXZGJQ-LXWZSJDBSA-N
XLogP1.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.36
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,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol?
The IUPAC name of (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol (CID 10898854) is (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol.
What is the SMILES notation for (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol?
The canonical SMILES for (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol is OC1C=CC2C1[C@H]1C=C[C@@H]2C1.
What is the InChIKey of (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol?
The InChIKey is SIRXYHBXRXZGJQ-LXWZSJDBSA-N. The full InChI is InChI=1S/C10H12O/c11-9-4-3-8-6-1-2-7(5-6)10(8)9/h1-4,6-11H,5H2/t6-,7+,8?,9?,10?/m1/s1.
What are the key properties of (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol?
(1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol has a molecular weight of 148.20 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol is sourced from PubChem (CID 10898854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).