4-methoxy-1-(oxolan-2-yl)heptan-3-ol

C12H24O3 — CID 116711704

IUPAC4-methoxy-1-(oxolan-2-yl)heptan-3-ol
SMILESCCCC(OC)C(O)CCC1CCCO1
InChIInChI=1S/C12H24O3/c1-3-5-12(14-2)11(13)8-7-10-6-4-9-15-10/h10-13H,3-9H2,1-2H3
InChIKeyDLXCLTRWSUKLEN-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.12
Rot. Bonds7

About 4-methoxy-1-(oxolan-2-yl)heptan-3-ol

4-methoxy-1-(oxolan-2-yl)heptan-3-ol (PubChem CID 116711704) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-methoxy-1-(oxolan-2-yl)heptan-3-ol.

Molecular Properties

Compound Name4-methoxy-1-(oxolan-2-yl)heptan-3-ol
PubChem CID116711704
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name4-methoxy-1-(oxolan-2-yl)heptan-3-ol
SMILESCCCC(OC)C(O)CCC1CCCO1
InChIInChI=1S/C12H24O3/c1-3-5-12(14-2)11(13)8-7-10-6-4-9-15-10/h10-13H,3-9H2,1-2H3
InChIKeyDLXCLTRWSUKLEN-UHFFFAOYSA-N
XLogP2.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
4-(aminomethyl)-1-(oxan-2-yl)heptan-3-ol
CID 79411600
5,5-dimethyl-1-(oxolan-2-yl)hexane-3,4-diol
CID 103457082
4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
CID 115809388
4-methyl-1-(oxolan-2-yl)heptan-3-amine
CID 104993629
4-ethoxy-4-methyl-1-(oxolan-2-yl)pentan-3-ol
CID 116713726
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
acetic acid;1-(oxolan-2-yl)pentan-3-ol
CID 57353713
5-(oxolan-2-yl)-2-propylpentan-1-ol
CID 66058975
1-(oxolan-2-yl)pentan-3-amine
CID 62549637

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(oxolan-2-yl)heptan-3-ol?
The IUPAC name of 4-methoxy-1-(oxolan-2-yl)heptan-3-ol (CID 116711704) is 4-methoxy-1-(oxolan-2-yl)heptan-3-ol.
What is the SMILES notation for 4-methoxy-1-(oxolan-2-yl)heptan-3-ol?
The canonical SMILES for 4-methoxy-1-(oxolan-2-yl)heptan-3-ol is CCCC(OC)C(O)CCC1CCCO1.
What is the InChIKey of 4-methoxy-1-(oxolan-2-yl)heptan-3-ol?
The InChIKey is DLXCLTRWSUKLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-3-5-12(14-2)11(13)8-7-10-6-4-9-15-10/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-methoxy-1-(oxolan-2-yl)heptan-3-ol?
4-methoxy-1-(oxolan-2-yl)heptan-3-ol has a molecular weight of 216.32 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(oxolan-2-yl)heptan-3-ol is sourced from PubChem (CID 116711704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).