6-(oxolan-2-ylmethoxy)hexan-3-one

C11H20O3 — CID 106801896

IUPAC6-(oxolan-2-ylmethoxy)hexan-3-one
SMILESCCC(=O)CCCOCC1CCCO1
InChIInChI=1S/C11H20O3/c1-2-10(12)5-3-7-13-9-11-6-4-8-14-11/h11H,2-9H2,1H3
InChIKeyCDYRMTAPIIYVOL-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.94
Rot. Bonds7

About 6-(oxolan-2-ylmethoxy)hexan-3-one

6-(oxolan-2-ylmethoxy)hexan-3-one (PubChem CID 106801896) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethoxy)hexan-3-one.

Molecular Properties

Compound Name6-(oxolan-2-ylmethoxy)hexan-3-one
PubChem CID106801896
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name6-(oxolan-2-ylmethoxy)hexan-3-one
SMILESCCC(=O)CCCOCC1CCCO1
InChIInChI=1S/C11H20O3/c1-2-10(12)5-3-7-13-9-11-6-4-8-14-11/h11H,2-9H2,1H3
InChIKeyCDYRMTAPIIYVOL-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

oxan-2-ylmethyl 3-(oxolan-2-ylmethoxy)propanoate
CID 78885532
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
3-(oxan-2-ylmethoxy)propan-1-ol
CID 63054995
2-[2-(2-methoxyethoxy)ethoxymethyl]oxolane
CID 157159519
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid
CID 65259862
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
3-(oxan-2-ylmethoxy)propanamide
CID 22444989
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
2-amino-2-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]butanamide
CID 79805275
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 61276283
2-[5-(oxepan-2-ylmethoxy)pentoxymethyl]oxepane
CID 58879072

Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-ylmethoxy)hexan-3-one?
The IUPAC name of 6-(oxolan-2-ylmethoxy)hexan-3-one (CID 106801896) is 6-(oxolan-2-ylmethoxy)hexan-3-one.
What is the SMILES notation for 6-(oxolan-2-ylmethoxy)hexan-3-one?
The canonical SMILES for 6-(oxolan-2-ylmethoxy)hexan-3-one is CCC(=O)CCCOCC1CCCO1.
What is the InChIKey of 6-(oxolan-2-ylmethoxy)hexan-3-one?
The InChIKey is CDYRMTAPIIYVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-2-10(12)5-3-7-13-9-11-6-4-8-14-11/h11H,2-9H2,1H3.
What are the key properties of 6-(oxolan-2-ylmethoxy)hexan-3-one?
6-(oxolan-2-ylmethoxy)hexan-3-one has a molecular weight of 200.28 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethoxy)hexan-3-one is sourced from PubChem (CID 106801896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).