4-[1-[4-(1-cyclooctylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane

C32H60O — CID 123307233

IUPAC4-[1-[4-(1-cyclooctylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane
SMILESCC(CC1CCCCCCC1)C1CCCCCC(CC(C)C2CC(C)(C)OC(C)(C)C2)CC1
InChIInChI=1S/C32H60O/c1-25(21-27-15-11-8-7-9-12-16-27)29-18-14-10-13-17-28(19-20-29)22-26(2)30-23-31(3,4)33-32(5,6)24-30/h25-30H,7-24H2,1-6H3
InChIKeyVITCGBMFXODMCY-UHFFFAOYSA-N
MW460.83 g/mol
LogP10.36
Rot. Bonds6

About 4-[1-[4-(1-cyclooctylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane

4-[1-[4-(1-cyclooctylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane (PubChem CID 123307233) has the molecular formula C32H60O and a molecular weight of 460.83 g/mol. Its IUPAC name is 4-[1-[4-(1-cyclooctylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane.

Molecular Properties

Compound Name4-[1-[4-(1-cyclooctylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane
PubChem CID123307233
Molecular FormulaC32H60O
Molecular Weight460.83 g/mol
Exact Mass460.46
IUPAC Name4-[1-[4-(1-cyclooctylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane
SMILESCC(CC1CCCCCCC1)C1CCCCCC(CC(C)C2CC(C)(C)OC(C)(C)C2)CC1
InChIInChI=1S/C32H60O/c1-25(21-27-15-11-8-7-9-12-16-27)29-18-14-10-13-17-28(19-20-29)22-26(2)30-23-31(3,4)33-32(5,6)24-30/h25-30H,7-24H2,1-6H3
InChIKeyVITCGBMFXODMCY-UHFFFAOYSA-N
XLogP10.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.83
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[1-[4-(1-cyclooctylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane with MolForge

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Related Compounds

4-[1-[5-(1-cycloheptylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane
CID 123748759
1-cyclopentylpropan-2-ylcyclopentane
CID 57131610
2-cyclopropylpropylcyclobutane
CID 54087952
4-(1-cyclopentylpropan-2-yl)piperidine
CID 131198877
2-methylpropylcyclohexane;2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159692112
(2R)-2-cyclohexylpropan-1-ol
CID 10176192
2-methylpropylcyclopentane;2-methylpropylcyclopropane
CID 159402972
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
N-[(1S)-1-cycloheptylethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81391451
cyclopentane;iron;2-methylpropylcyclopentane
CID 172726896
butan-2-ylcyclohexadecane
CID 123713671
(1-cyclopentyl-3-methylbutan-2-yl)cyclohexane
CID 143562846

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(1-cyclooctylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane?
The IUPAC name of 4-[1-[4-(1-cyclooctylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane (CID 123307233) is 4-[1-[4-(1-cyclooctylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane.
What is the SMILES notation for 4-[1-[4-(1-cyclooctylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane?
The canonical SMILES for 4-[1-[4-(1-cyclooctylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane is CC(CC1CCCCCCC1)C1CCCCCC(CC(C)C2CC(C)(C)OC(C)(C)C2)CC1.
What is the InChIKey of 4-[1-[4-(1-cyclooctylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane?
The InChIKey is VITCGBMFXODMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60O/c1-25(21-27-15-11-8-7-9-12-16-27)29-18-14-10-13-17-28(19-20-29)22-26(2)30-23-31(3,4)33-32(5,6)24-30/h25-30H,7-24H2,1-6H3.
What are the key properties of 4-[1-[4-(1-cyclooctylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane?
4-[1-[4-(1-cyclooctylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane has a molecular weight of 460.83 g/mol, XLogP of 10.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(1-cyclooctylpropan-2-yl)cyclononyl]propan-2-yl]-2,2,6,6-tetramethyloxane is sourced from PubChem (CID 123307233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).