CID 101478464

C25H25O — CID 101478464

IUPAC—
SMILESCCC1(C)OC12C=C[C](C1CC1(c1ccccc1)c1ccccc1)C=C2
InChIInChI=1S/C25H25O/c1-3-23(2)24(26-23)16-14-19(15-17-24)22-18-25(22,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,22H,3,18H2,1-2H3
InChIKeySSAAEEUGIBCKDK-UHFFFAOYSA-N
MW341.47 g/mol
LogP5.63
Rot. Bonds4

About CID 101478464

CID 101478464 (PubChem CID 101478464) has the molecular formula C25H25O and a molecular weight of 341.47 g/mol.

Molecular Properties

Compound NameCID 101478464
PubChem CID101478464
Molecular FormulaC25H25O
Molecular Weight341.47 g/mol
Exact Mass341.19
IUPAC Name—
SMILESCCC1(C)OC12C=C[C](C1CC1(c1ccccc1)c1ccccc1)C=C2
InChIInChI=1S/C25H25O/c1-3-23(2)24(26-23)16-14-19(15-17-24)22-18-25(22,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,22H,3,18H2,1-2H3
InChIKeySSAAEEUGIBCKDK-UHFFFAOYSA-N
XLogP5.63
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.47
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 101478464?
The IUPAC name of CID 101478464 (CID 101478464) is not available.
What is the SMILES notation for CID 101478464?
The canonical SMILES for CID 101478464 is CCC1(C)OC12C=C[C](C1CC1(c1ccccc1)c1ccccc1)C=C2.
What is the InChIKey of CID 101478464?
The InChIKey is SSAAEEUGIBCKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25O/c1-3-23(2)24(26-23)16-14-19(15-17-24)22-18-25(22,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,22H,3,18H2,1-2H3.
What are the key properties of CID 101478464?
CID 101478464 has a molecular weight of 341.47 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101478464 is sourced from PubChem (CID 101478464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).