(10E)-20-hydroxycycloicos-10-en-1-one

C20H36O2 — CID 23510883

IUPAC(10E)-20-hydroxycycloicos-10-en-1-one
SMILESO=C1CCCCCCCC/C=C/CCCCCCCCC1O
InChIInChI=1S/C20H36O2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(19)22/h1-2,19,21H,3-18H2/b2-1+
InChIKeyKITCLXHLMMYVDS-OWOJBTEDSA-N
MW308.51 g/mol
LogP5.73
Rot. Bonds

About (10E)-20-hydroxycycloicos-10-en-1-one

(10E)-20-hydroxycycloicos-10-en-1-one (PubChem CID 23510883) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is (10E)-20-hydroxycycloicos-10-en-1-one.

Molecular Properties

Compound Name(10E)-20-hydroxycycloicos-10-en-1-one
PubChem CID23510883
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name(10E)-20-hydroxycycloicos-10-en-1-one
SMILESO=C1CCCCCCCC/C=C/CCCCCCCCC1O
InChIInChI=1S/C20H36O2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(19)22/h1-2,19,21H,3-18H2/b2-1+
InChIKeyKITCLXHLMMYVDS-OWOJBTEDSA-N
XLogP5.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 55.73
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 (10E)-20-hydroxycycloicos-10-en-1-one?
The IUPAC name of (10E)-20-hydroxycycloicos-10-en-1-one (CID 23510883) is (10E)-20-hydroxycycloicos-10-en-1-one.
What is the SMILES notation for (10E)-20-hydroxycycloicos-10-en-1-one?
The canonical SMILES for (10E)-20-hydroxycycloicos-10-en-1-one is O=C1CCCCCCCC/C=C/CCCCCCCCC1O.
What is the InChIKey of (10E)-20-hydroxycycloicos-10-en-1-one?
The InChIKey is KITCLXHLMMYVDS-OWOJBTEDSA-N. The full InChI is InChI=1S/C20H36O2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(19)22/h1-2,19,21H,3-18H2/b2-1+.
What are the key properties of (10E)-20-hydroxycycloicos-10-en-1-one?
(10E)-20-hydroxycycloicos-10-en-1-one has a molecular weight of 308.51 g/mol, XLogP of 5.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-20-hydroxycycloicos-10-en-1-one is sourced from PubChem (CID 23510883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).