1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol

C11H22O3 — CID 65161751

IUPAC1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol
SMILESCOCCC(C)(O)CCC1CCCO1
InChIInChI=1S/C11H22O3/c1-11(12,7-9-13-2)6-5-10-4-3-8-14-10/h10,12H,3-9H2,1-2H3
InChIKeyTVXNIEXMRGBGRG-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.73
Rot. Bonds6

About 1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol

1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol (PubChem CID 65161751) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol.

Molecular Properties

Compound Name1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol
PubChem CID65161751
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol
SMILESCOCCC(C)(O)CCC1CCCO1
InChIInChI=1S/C11H22O3/c1-11(12,7-9-13-2)6-5-10-4-3-8-14-10/h10,12H,3-9H2,1-2H3
InChIKeyTVXNIEXMRGBGRG-UHFFFAOYSA-N
XLogP1.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-methyl-6-(oxolan-2-yl)hexan-3-ol
CID 65161752
1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol
CID 66037038
N-(2-methoxyethyl)-2,2-dimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165816
2-methoxypropan-2-ol;2-[2-(2-methoxypropan-2-yloxy)ethyl]oxolane
CID 142450312
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine
CID 83160361
1-(2-methoxyethylamino)-2-methyl-3-(oxolan-2-yl)propan-2-ol
CID 66037769
1-amino-2-methyl-5-(oxolan-2-yl)pentan-2-ol
CID 66037682
2-[2-(2-methoxypropan-2-yloxy)ethyl]oxolane
CID 142450313
3,4-dimethyl-1-(oxolan-2-yl)hexan-3-ol
CID 65161696
1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol
CID 66001469
3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol
CID 65161613
3,3-dimethylbutyl 3-(oxolan-2-yl)propanoate
CID 78863605

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol?
The IUPAC name of 1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol (CID 65161751) is 1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol.
What is the SMILES notation for 1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol?
The canonical SMILES for 1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol is COCCC(C)(O)CCC1CCCO1.
What is the InChIKey of 1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol?
The InChIKey is TVXNIEXMRGBGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-11(12,7-9-13-2)6-5-10-4-3-8-14-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol?
1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol has a molecular weight of 202.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-5-(oxolan-2-yl)pentan-3-ol is sourced from PubChem (CID 65161751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).