4-[(1R,2R,6R,7R,8R)-8-hydroxy-4-tricyclo[5.2.1.02,6]decanylidene]cyclohexan-1-one

C16H22O2 — CID 10658095

IUPAC4-[(1R,2R,6R,7R,8R)-8-hydroxy-4-tricyclo[5.2.1.02,6]decanylidene]cyclohexan-1-one
SMILESO=C1CCC(=C2C[C@@H]3[C@H](C2)[C@@H]2C[C@H]3[C@H](O)C2)CC1
InChIInChI=1S/C16H22O2/c17-12-3-1-9(2-4-12)10-5-13-11-7-15(14(13)6-10)16(18)8-11/h11,13-16,18H,1-8H2/t11-,13-,14-,15-,16-/m1/s1
InChIKeyUNLZEDPWRQTNSP-JPIRQXTESA-N
MW246.35 g/mol
LogP2.85
Rot. Bonds

About 4-[(1R,2R,6R,7R,8R)-8-hydroxy-4-tricyclo[5.2.1.02,6]decanylidene]cyclohexan-1-one

4-[(1R,2R,6R,7R,8R)-8-hydroxy-4-tricyclo[5.2.1.02,6]decanylidene]cyclohexan-1-one (PubChem CID 10658095) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 4-[(1R,2R,6R,7R,8R)-8-hydroxy-4-tricyclo[5.2.1.02,6]decanylidene]cyclohexan-1-one.

Molecular Properties

Compound Name4-[(1R,2R,6R,7R,8R)-8-hydroxy-4-tricyclo[5.2.1.02,6]decanylidene]cyclohexan-1-one
PubChem CID10658095
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name4-[(1R,2R,6R,7R,8R)-8-hydroxy-4-tricyclo[5.2.1.02,6]decanylidene]cyclohexan-1-one
SMILESO=C1CCC(=C2C[C@@H]3[C@H](C2)[C@@H]2C[C@H]3[C@H](O)C2)CC1
InChIInChI=1S/C16H22O2/c17-12-3-1-9(2-4-12)10-5-13-11-7-15(14(13)6-10)16(18)8-11/h11,13-16,18H,1-8H2/t11-,13-,14-,15-,16-/m1/s1
InChIKeyUNLZEDPWRQTNSP-JPIRQXTESA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.85
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 4-[(1R,2R,6R,7R,8R)-8-hydroxy-4-tricyclo[5.2.1.02,6]decanylidene]cyclohexan-1-one?
The IUPAC name of 4-[(1R,2R,6R,7R,8R)-8-hydroxy-4-tricyclo[5.2.1.02,6]decanylidene]cyclohexan-1-one (CID 10658095) is 4-[(1R,2R,6R,7R,8R)-8-hydroxy-4-tricyclo[5.2.1.02,6]decanylidene]cyclohexan-1-one.
What is the SMILES notation for 4-[(1R,2R,6R,7R,8R)-8-hydroxy-4-tricyclo[5.2.1.02,6]decanylidene]cyclohexan-1-one?
The canonical SMILES for 4-[(1R,2R,6R,7R,8R)-8-hydroxy-4-tricyclo[5.2.1.02,6]decanylidene]cyclohexan-1-one is O=C1CCC(=C2C[C@@H]3[C@H](C2)[C@@H]2C[C@H]3[C@H](O)C2)CC1.
What is the InChIKey of 4-[(1R,2R,6R,7R,8R)-8-hydroxy-4-tricyclo[5.2.1.02,6]decanylidene]cyclohexan-1-one?
The InChIKey is UNLZEDPWRQTNSP-JPIRQXTESA-N. The full InChI is InChI=1S/C16H22O2/c17-12-3-1-9(2-4-12)10-5-13-11-7-15(14(13)6-10)16(18)8-11/h11,13-16,18H,1-8H2/t11-,13-,14-,15-,16-/m1/s1.
What are the key properties of 4-[(1R,2R,6R,7R,8R)-8-hydroxy-4-tricyclo[5.2.1.02,6]decanylidene]cyclohexan-1-one?
4-[(1R,2R,6R,7R,8R)-8-hydroxy-4-tricyclo[5.2.1.02,6]decanylidene]cyclohexan-1-one has a molecular weight of 246.35 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R,6R,7R,8R)-8-hydroxy-4-tricyclo[5.2.1.02,6]decanylidene]cyclohexan-1-one is sourced from PubChem (CID 10658095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).