3-heptan-4-yloxolane

C11H22O — CID 162375259

IUPAC3-heptan-4-yloxolane
SMILESCCCC(CCC)C1CCOC1
InChIInChI=1S/C11H22O/c1-3-5-10(6-4-2)11-7-8-12-9-11/h10-11H,3-9H2,1-2H3
InChIKeyABFPOWUOWWMBCN-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds5

About 3-heptan-4-yloxolane

3-heptan-4-yloxolane (PubChem CID 162375259) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-heptan-4-yloxolane.

Molecular Properties

Compound Name3-heptan-4-yloxolane
PubChem CID162375259
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3-heptan-4-yloxolane
SMILESCCCC(CCC)C1CCOC1
InChIInChI=1S/C11H22O/c1-3-5-10(6-4-2)11-7-8-12-9-11/h10-11H,3-9H2,1-2H3
InChIKeyABFPOWUOWWMBCN-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(oxolan-3-yl)hexanenitrile
CID 142587151
3-(1-bromobutyl)oxolane
CID 83051784
1-(oxolan-3-yl)butan-1-amine
CID 63564938
4-hexan-3-yloxane
CID 118974929
1-(oxolan-3-yl)-2-propylpentan-1-ol
CID 115798272
1-(oxolan-3-yl)butan-1-amine;hydrate
CID 174673469
N-[1-(oxolan-3-yl)ethyl]hexan-3-amine
CID 115888979
3-butan-2-yloxolane;ethane
CID 143988733
(3R)-3-[(1S)-1-fluoropropyl]oxolane
CID 154655865
3-pentan-3-yloxane
CID 15620798
2-methoxy-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 116718856
N-ethyl-1-(oxolan-3-yl)pentan-1-amine
CID 65330630

Frequently Asked Questions

What is the IUPAC name of 3-heptan-4-yloxolane?
The IUPAC name of 3-heptan-4-yloxolane (CID 162375259) is 3-heptan-4-yloxolane.
What is the SMILES notation for 3-heptan-4-yloxolane?
The canonical SMILES for 3-heptan-4-yloxolane is CCCC(CCC)C1CCOC1.
What is the InChIKey of 3-heptan-4-yloxolane?
The InChIKey is ABFPOWUOWWMBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-5-10(6-4-2)11-7-8-12-9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-heptan-4-yloxolane?
3-heptan-4-yloxolane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptan-4-yloxolane is sourced from PubChem (CID 162375259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).