CID 71468030

C17H22O2 — CID 71468030

IUPAC—
SMILESC=C1C(=O)O[C@@H]2[C@@H]3[C@@H](CCC34CC4)C3(CC[C@@H]12)CC3
InChIInChI=1S/C17H22O2/c1-10-11-2-4-16(6-7-16)12-3-5-17(8-9-17)13(12)14(11)19-15(10)18/h11-14H,1-9H2/t11-,12+,13-,14-/m0/s1
InChIKeyGQIAACVWMZBULU-CRWXNKLISA-N
MW258.36 g/mol
LogP3.46
Rot. Bonds

About CID 71468030

CID 71468030 (PubChem CID 71468030) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol.

Molecular Properties

Compound NameCID 71468030
PubChem CID71468030
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name—
SMILESC=C1C(=O)O[C@@H]2[C@@H]3[C@@H](CCC34CC4)C3(CC[C@@H]12)CC3
InChIInChI=1S/C17H22O2/c1-10-11-2-4-16(6-7-16)12-3-5-17(8-9-17)13(12)14(11)19-15(10)18/h11-14H,1-9H2/t11-,12+,13-,14-/m0/s1
InChIKeyGQIAACVWMZBULU-CRWXNKLISA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 71468030?
The IUPAC name of CID 71468030 (CID 71468030) is not available.
What is the SMILES notation for CID 71468030?
The canonical SMILES for CID 71468030 is C=C1C(=O)O[C@@H]2[C@@H]3[C@@H](CCC34CC4)C3(CC[C@@H]12)CC3.
What is the InChIKey of CID 71468030?
The InChIKey is GQIAACVWMZBULU-CRWXNKLISA-N. The full InChI is InChI=1S/C17H22O2/c1-10-11-2-4-16(6-7-16)12-3-5-17(8-9-17)13(12)14(11)19-15(10)18/h11-14H,1-9H2/t11-,12+,13-,14-/m0/s1.
What are the key properties of CID 71468030?
CID 71468030 has a molecular weight of 258.36 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71468030 is sourced from PubChem (CID 71468030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).