29-methyl-oxacyclotriacontan-2-ol

C30H60O2 — CID 171118859

IUPAC29-methyl-oxacyclotriacontan-2-ol
SMILESCC1CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)OC1
InChIInChI=1S/C30H60O2/c1-29-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-30(31)32-28-29/h29-31H,2-28H2,1H3
InChIKeyGOJZTBWNHGHMOT-UHFFFAOYSA-N
MW452.81 g/mol
LogP10.11
Rot. Bonds

About 29-methyl-oxacyclotriacontan-2-ol

29-methyl-oxacyclotriacontan-2-ol (PubChem CID 171118859) has the molecular formula C30H60O2 and a molecular weight of 452.81 g/mol. Its IUPAC name is 29-methyl-oxacyclotriacontan-2-ol.

Molecular Properties

Compound Name29-methyl-oxacyclotriacontan-2-ol
PubChem CID171118859
Molecular FormulaC30H60O2
Molecular Weight452.81 g/mol
Exact Mass452.46
IUPAC Name29-methyl-oxacyclotriacontan-2-ol
SMILESCC1CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)OC1
InChIInChI=1S/C30H60O2/c1-29-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-30(31)32-28-29/h29-31H,2-28H2,1H3
InChIKeyGOJZTBWNHGHMOT-UHFFFAOYSA-N
XLogP10.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.81
LogP ≤ 510.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 29-methyl-oxacyclotriacontan-2-ol?
The IUPAC name of 29-methyl-oxacyclotriacontan-2-ol (CID 171118859) is 29-methyl-oxacyclotriacontan-2-ol.
What is the SMILES notation for 29-methyl-oxacyclotriacontan-2-ol?
The canonical SMILES for 29-methyl-oxacyclotriacontan-2-ol is CC1CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)OC1.
What is the InChIKey of 29-methyl-oxacyclotriacontan-2-ol?
The InChIKey is GOJZTBWNHGHMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60O2/c1-29-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-27-30(31)32-28-29/h29-31H,2-28H2,1H3.
What are the key properties of 29-methyl-oxacyclotriacontan-2-ol?
29-methyl-oxacyclotriacontan-2-ol has a molecular weight of 452.81 g/mol, XLogP of 10.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 29-methyl-oxacyclotriacontan-2-ol is sourced from PubChem (CID 171118859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).