CID 160910085

C26H34O4 — CID 160910085

IUPAC—
SMILESCC(=O)CCc1ccc([C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C26H34O4/c1-17(27)4-5-18-6-8-21(9-7-18)22-3-2-10-25(16-22)28-26(30-29-25)23-12-19-11-20(14-23)15-24(26)13-19/h6-9,19-20,22-24H,2-5,10-16H2,1H3/t19?,20?,22-,23?,24?,25-,26?/m1/s1
InChIKeyLKYHXJKSRMBRCC-MQVXISQJSA-N
MW410.55 g/mol
LogP5.69
Rot. Bonds4

About CID 160910085

CID 160910085 (PubChem CID 160910085) has the molecular formula C26H34O4 and a molecular weight of 410.55 g/mol.

Molecular Properties

Compound NameCID 160910085
PubChem CID160910085
Molecular FormulaC26H34O4
Molecular Weight410.55 g/mol
Exact Mass410.25
IUPAC Name—
SMILESCC(=O)CCc1ccc([C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C26H34O4/c1-17(27)4-5-18-6-8-21(9-7-18)22-3-2-10-25(16-22)28-26(30-29-25)23-12-19-11-20(14-23)15-24(26)13-19/h6-9,19-20,22-24H,2-5,10-16H2,1H3/t19?,20?,22-,23?,24?,25-,26?/m1/s1
InChIKeyLKYHXJKSRMBRCC-MQVXISQJSA-N
XLogP5.69
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.55
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 160910085?
The IUPAC name of CID 160910085 (CID 160910085) is not available.
What is the SMILES notation for CID 160910085?
The canonical SMILES for CID 160910085 is CC(=O)CCc1ccc([C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of CID 160910085?
The InChIKey is LKYHXJKSRMBRCC-MQVXISQJSA-N. The full InChI is InChI=1S/C26H34O4/c1-17(27)4-5-18-6-8-21(9-7-18)22-3-2-10-25(16-22)28-26(30-29-25)23-12-19-11-20(14-23)15-24(26)13-19/h6-9,19-20,22-24H,2-5,10-16H2,1H3/t19?,20?,22-,23?,24?,25-,26?/m1/s1.
What are the key properties of CID 160910085?
CID 160910085 has a molecular weight of 410.55 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160910085 is sourced from PubChem (CID 160910085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).