2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane

C27H52O — CID 150718845

IUPAC2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane
SMILESCC1OC(C)(C2CCCCCCCCCCCCC2)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C27H52O/c1-22-24(2,3)25(4,5)26(6,7)27(8,28-22)23-20-18-16-14-12-10-9-11-13-15-17-19-21-23/h22-23H,9-21H2,1-8H3
InChIKeyJPLCPHXDQMAVJX-UHFFFAOYSA-N
MW392.71 g/mol
LogP8.94
Rot. Bonds1

About 2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane

2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane (PubChem CID 150718845) has the molecular formula C27H52O and a molecular weight of 392.71 g/mol. Its IUPAC name is 2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane.

Molecular Properties

Compound Name2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane
PubChem CID150718845
Molecular FormulaC27H52O
Molecular Weight392.71 g/mol
Exact Mass392.40
IUPAC Name2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane
SMILESCC1OC(C)(C2CCCCCCCCCCCCC2)C(C)(C)C(C)(C)C1(C)C
InChIInChI=1S/C27H52O/c1-22-24(2,3)25(4,5)26(6,7)27(8,28-22)23-20-18-16-14-12-10-9-11-13-15-17-19-21-23/h22-23H,9-21H2,1-8H3
InChIKeyJPLCPHXDQMAVJX-UHFFFAOYSA-N
XLogP8.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.71
LogP ≤ 58.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclohexyl-2,4,5-trimethyl-1,3-dioxolane
CID 12914106
(2R)-2-cyclohexyl-2-methyloxirane
CID 101039402
11,11-dimethylbicyclo[4.4.1]undecane
CID 71443320
2-cyclopentyl-2-methyl-1,3-dioxane
CID 45098524
2-cyclopropyl-2,3-dimethyloxirane
CID 173434239
cyclohexane;methylcyclopentane
CID 20788572
1,6-dimethylcycloundecane
CID 91298161
(1-methylcyclopentyl)cyclohexane
CID 13217819
2,2-dimethyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 101128418
(1R,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one
CID 101067884
(1S,6R,9R)-1-cyclohexyl-6,11,11-trimethyl-3,10-dioxabicyclo[7.1.1]undecan-2-one
CID 101067882
2-cyclohexyl-4-methoxy-2-methyloxetane
CID 123235119

Frequently Asked Questions

What is the IUPAC name of 2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane?
The IUPAC name of 2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane (CID 150718845) is 2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane.
What is the SMILES notation for 2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane?
The canonical SMILES for 2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane is CC1OC(C)(C2CCCCCCCCCCCCC2)C(C)(C)C(C)(C)C1(C)C.
What is the InChIKey of 2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane?
The InChIKey is JPLCPHXDQMAVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52O/c1-22-24(2,3)25(4,5)26(6,7)27(8,28-22)23-20-18-16-14-12-10-9-11-13-15-17-19-21-23/h22-23H,9-21H2,1-8H3.
What are the key properties of 2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane?
2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane has a molecular weight of 392.71 g/mol, XLogP of 8.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclotetradecyl-2,3,3,4,4,5,5,6-octamethyloxane is sourced from PubChem (CID 150718845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).