3-(1-methoxy-3-methylpentyl)oxolane

C11H22O2 — CID 177151433

IUPAC3-(1-methoxy-3-methylpentyl)oxolane
SMILESCCC(C)CC(OC)C1CCOC1
InChIInChI=1S/C11H22O2/c1-4-9(2)7-11(12-3)10-5-6-13-8-10/h9-11H,4-8H2,1-3H3
InChIKeyDTYREQWGFLMKBT-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.47
Rot. Bonds5

About 3-(1-methoxy-3-methylpentyl)oxolane

3-(1-methoxy-3-methylpentyl)oxolane (PubChem CID 177151433) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-(1-methoxy-3-methylpentyl)oxolane.

Molecular Properties

Compound Name3-(1-methoxy-3-methylpentyl)oxolane
PubChem CID177151433
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-(1-methoxy-3-methylpentyl)oxolane
SMILESCCC(C)CC(OC)C1CCOC1
InChIInChI=1S/C11H22O2/c1-4-9(2)7-11(12-3)10-5-6-13-8-10/h9-11H,4-8H2,1-3H3
InChIKeyDTYREQWGFLMKBT-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-3-(oxolan-3-yl)propan-1-amine
CID 115012480
4-methyl-N-[1-(oxolan-3-yl)ethyl]hexan-2-amine
CID 115892028
5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine
CID 115723984
(3S)-3-[(1R)-1-methoxyethyl]oxolane
CID 178131318
2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride
CID 165459370
3-butan-2-yloxolane;ethane
CID 143988733
3-(1-methoxy-2-methylpropyl)oxolane
CID 164918486
3-(1-ethoxyethyl)oxolane
CID 11788363
(3R)-3-[(1S)-1-fluoropropyl]oxolane
CID 154655865
[3-methyl-1-(oxan-3-yl)pentyl]hydrazine
CID 105230031
N-ethyl-4-methyl-1-(oxolan-3-yl)hexan-2-amine
CID 103987176
4-methoxy-1-(oxolan-3-yl)pentan-1-ol
CID 105097696

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxy-3-methylpentyl)oxolane?
The IUPAC name of 3-(1-methoxy-3-methylpentyl)oxolane (CID 177151433) is 3-(1-methoxy-3-methylpentyl)oxolane.
What is the SMILES notation for 3-(1-methoxy-3-methylpentyl)oxolane?
The canonical SMILES for 3-(1-methoxy-3-methylpentyl)oxolane is CCC(C)CC(OC)C1CCOC1.
What is the InChIKey of 3-(1-methoxy-3-methylpentyl)oxolane?
The InChIKey is DTYREQWGFLMKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-9(2)7-11(12-3)10-5-6-13-8-10/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-(1-methoxy-3-methylpentyl)oxolane?
3-(1-methoxy-3-methylpentyl)oxolane has a molecular weight of 186.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxy-3-methylpentyl)oxolane is sourced from PubChem (CID 177151433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).