2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane

C16H30O — CID 174522535

IUPAC2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane
SMILESCC(C)CCC1(CC2CCCO2)CCCCC1
InChIInChI=1S/C16H30O/c1-14(2)8-11-16(9-4-3-5-10-16)13-15-7-6-12-17-15/h14-15H,3-13H2,1-2H3
InChIKeyWCEUOEJNUSADKX-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.94
Rot. Bonds5

About 2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane

2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane (PubChem CID 174522535) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane.

Molecular Properties

Compound Name2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane
PubChem CID174522535
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane
SMILESCC(C)CCC1(CC2CCCO2)CCCCC1
InChIInChI=1S/C16H30O/c1-14(2)8-11-16(9-4-3-5-10-16)13-15-7-6-12-17-15/h14-15H,3-13H2,1-2H3
InChIKeyWCEUOEJNUSADKX-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(oxolan-2-ylmethyl)cyclohexyl]methanol
CID 66024131
[1-(oxolan-2-ylmethyl)cyclooctyl]methanamine
CID 80603057
2-methyl-N-[[1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 65166397
1-(oxolan-2-ylmethyl)cyclohexan-1-ol
CID 65142760
2-methoxy-N-[[1-(oxolan-2-ylmethyl)cyclohexyl]methyl]ethanamine
CID 55106983
(2S)-2-methyl-2-(oxan-2-ylmethyl)oxane
CID 102007923
N-methyl-1-[1-(oxolan-2-ylmethyl)cyclopropyl]methanamine
CID 66025753
N-[[1,1-dioxo-3-(oxolan-2-ylmethyl)thiolan-3-yl]methyl]propan-2-amine
CID 55106931
[1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentyl]methanol
CID 62265462
N-[[1-[2-(oxolan-2-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 65166242
3-(oxolan-2-ylmethyl)-3-propylazetidine
CID 79451538
1-(chloromethyl)-1-(3-methylbutyl)cyclopentane
CID 66034231

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane?
The IUPAC name of 2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane (CID 174522535) is 2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane.
What is the SMILES notation for 2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane?
The canonical SMILES for 2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane is CC(C)CCC1(CC2CCCO2)CCCCC1.
What is the InChIKey of 2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane?
The InChIKey is WCEUOEJNUSADKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-14(2)8-11-16(9-4-3-5-10-16)13-15-7-6-12-17-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane?
2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane has a molecular weight of 238.41 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-methylbutyl)cyclohexyl]methyl]oxolane is sourced from PubChem (CID 174522535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).