CID 101085600

C19H21O — CID 101085600

IUPAC—
SMILES[O]CCCCC1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21O/c20-14-8-7-13-18-15-19(18,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2
InChIKeyAEALPMITUFKVKO-UHFFFAOYSA-N
MW265.38 g/mol
LogP4.59
Rot. Bonds6

About CID 101085600

CID 101085600 (PubChem CID 101085600) has the molecular formula C19H21O and a molecular weight of 265.38 g/mol.

Molecular Properties

Compound NameCID 101085600
PubChem CID101085600
Molecular FormulaC19H21O
Molecular Weight265.38 g/mol
Exact Mass265.16
IUPAC Name—
SMILES[O]CCCCC1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21O/c20-14-8-7-13-18-15-19(18,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2
InChIKeyAEALPMITUFKVKO-UHFFFAOYSA-N
XLogP4.59
TPSA19.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101085600?
The IUPAC name of CID 101085600 (CID 101085600) is not available.
What is the SMILES notation for CID 101085600?
The canonical SMILES for CID 101085600 is [O]CCCCC1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 101085600?
The InChIKey is AEALPMITUFKVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21O/c20-14-8-7-13-18-15-19(18,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-6,9-12,18H,7-8,13-15H2.
What are the key properties of CID 101085600?
CID 101085600 has a molecular weight of 265.38 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101085600 is sourced from PubChem (CID 101085600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).