2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol

C31H62O3 — CID 150682925

IUPAC2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol
SMILESOCCC1CCCCCCCCCCCCCCCCCCCCCCCC1(CCO)CCO
InChIInChI=1S/C31H62O3/c32-27-23-30-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-24-31(30,25-28-33)26-29-34/h30,32-34H,1-29H2
InChIKeyJIGGCPQCUBDRFU-UHFFFAOYSA-N
MW482.83 g/mol
LogP8.72
Rot. Bonds6

About 2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol

2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol (PubChem CID 150682925) has the molecular formula C31H62O3 and a molecular weight of 482.83 g/mol. Its IUPAC name is 2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol.

Molecular Properties

Compound Name2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol
PubChem CID150682925
Molecular FormulaC31H62O3
Molecular Weight482.83 g/mol
Exact Mass482.47
IUPAC Name2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol
SMILESOCCC1CCCCCCCCCCCCCCCCCCCCCCCC1(CCO)CCO
InChIInChI=1S/C31H62O3/c32-27-23-30-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-24-31(30,25-28-33)26-29-34/h30,32-34H,1-29H2
InChIKeyJIGGCPQCUBDRFU-UHFFFAOYSA-N
XLogP8.72
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.83
LogP ≤ 58.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol?
The IUPAC name of 2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol (CID 150682925) is 2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol.
What is the SMILES notation for 2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol?
The canonical SMILES for 2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol is OCCC1CCCCCCCCCCCCCCCCCCCCCCCC1(CCO)CCO.
What is the InChIKey of 2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol?
The InChIKey is JIGGCPQCUBDRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H62O3/c32-27-23-30-22-20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-24-31(30,25-28-33)26-29-34/h30,32-34H,1-29H2.
What are the key properties of 2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol?
2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol has a molecular weight of 482.83 g/mol, XLogP of 8.72, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(2-hydroxyethyl)cyclopentacosyl]ethanol is sourced from PubChem (CID 150682925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).