2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol

C18H36O3 — CID 115942497

IUPAC2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol
SMILESCC(C)(C)OCCOC1CCCCCCCCCCC1O
InChIInChI=1S/C18H36O3/c1-18(2,3)21-15-14-20-17-13-11-9-7-5-4-6-8-10-12-16(17)19/h16-17,19H,4-15H2,1-3H3
InChIKeyYFKWQHXTYJGMCN-UHFFFAOYSA-N
MW300.48 g/mol
LogP4.46
Rot. Bonds4

About 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol

2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol (PubChem CID 115942497) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol
PubChem CID115942497
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol
SMILESCC(C)(C)OCCOC1CCCCCCCCCCC1O
InChIInChI=1S/C18H36O3/c1-18(2,3)21-15-14-20-17-13-11-9-7-5-4-6-8-10-12-16(17)19/h16-17,19H,4-15H2,1-3H3
InChIKeyYFKWQHXTYJGMCN-UHFFFAOYSA-N
XLogP4.46
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.48
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol (CID 115942497) is 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol is CC(C)(C)OCCOC1CCCCCCCCCCC1O.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol?
The InChIKey is YFKWQHXTYJGMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-18(2,3)21-15-14-20-17-13-11-9-7-5-4-6-8-10-12-16(17)19/h16-17,19H,4-15H2,1-3H3.
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol?
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol has a molecular weight of 300.48 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclododecan-1-ol is sourced from PubChem (CID 115942497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).