5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol

C14H28O3 — CID 116752270

IUPAC5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol
SMILESCCOC(C)(CC)C(O)CCCC1CCCO1
InChIInChI=1S/C14H28O3/c1-4-14(3,17-5-2)13(15)10-6-8-12-9-7-11-16-12/h12-13,15H,4-11H2,1-3H3
InChIKeyGRFIZARKOWASDE-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.90
Rot. Bonds8

About 5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol

5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol (PubChem CID 116752270) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol.

Molecular Properties

Compound Name5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol
PubChem CID116752270
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol
SMILESCCOC(C)(CC)C(O)CCCC1CCCO1
InChIInChI=1S/C14H28O3/c1-4-14(3,17-5-2)13(15)10-6-8-12-9-7-11-16-12/h12-13,15H,4-11H2,1-3H3
InChIKeyGRFIZARKOWASDE-UHFFFAOYSA-N
XLogP2.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-4-methyl-1-(oxolan-2-yl)pentan-3-ol
CID 116713726
5-methoxy-5-methyl-1-(oxolan-2-yl)heptan-4-amine
CID 116757408
4,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
CID 115809388
1-(oxolan-2-yl)octane-4,5-diol
CID 103454832
3-methyl-6-(oxolan-2-yl)hexan-2-ol
CID 65166050
4-(diethylamino)-4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 79064624
2-ethoxy-2-methyl-N-[3-(oxolan-2-yl)propyl]propan-1-amine
CID 114942090
4-ethoxy-4-methyl-1-(oxolan-2-yl)hexan-3-one
CID 116747011
2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
CID 79450832
1-(diethylamino)-6-(oxolan-2-yl)hexan-3-ol
CID 79087658
N,5-dimethyl-1-(oxolan-2-yl)heptan-4-amine
CID 65164663
[4-ethoxy-4-methyl-1-(oxolan-2-yl)pentan-3-yl]hydrazine
CID 105274041

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol?
The IUPAC name of 5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol (CID 116752270) is 5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol.
What is the SMILES notation for 5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol?
The canonical SMILES for 5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol is CCOC(C)(CC)C(O)CCCC1CCCO1.
What is the InChIKey of 5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol?
The InChIKey is GRFIZARKOWASDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-4-14(3,17-5-2)13(15)10-6-8-12-9-7-11-16-12/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol?
5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol has a molecular weight of 244.37 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-5-methyl-1-(oxolan-2-yl)heptan-4-ol is sourced from PubChem (CID 116752270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).