4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol

C11H22O3 — CID 116523324

IUPAC4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol
SMILESCOCC(O)CCC1CCC(C)(C)O1
InChIInChI=1S/C11H22O3/c1-11(2)7-6-10(14-11)5-4-9(12)8-13-3/h9-10,12H,4-8H2,1-3H3
InChIKeyGSYSAMAQWNSBJJ-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.73
Rot. Bonds5

About 4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol

4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol (PubChem CID 116523324) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol
PubChem CID116523324
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol
SMILESCOCC(O)CCC1CCC(C)(C)O1
InChIInChI=1S/C11H22O3/c1-11(2)7-6-10(14-11)5-4-9(12)8-13-3/h9-10,12H,4-8H2,1-3H3
InChIKeyGSYSAMAQWNSBJJ-UHFFFAOYSA-N
XLogP1.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

5-(3-chloro-4-methoxybutyl)-2,2-dimethyloxolane
CID 116523365
5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane
CID 116523355
1-(5,5-dimethyloxolan-2-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 116525065
4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine
CID 116522565
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine
CID 116521074
5-(3-bromohexyl)-2,2-dimethyloxolane
CID 116523352
3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 116521510
4-(5,5-dimethyloxolan-2-yl)butan-1-ol
CID 116524331
5-(4-bromopentyl)-2,2-dimethyloxolane
CID 116524361
4-(5,5-dimethyloxolan-2-yl)-N-propylbutan-2-amine
CID 116522567
1-methoxy-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butan-2-ol
CID 106246735

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol?
The IUPAC name of 4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol (CID 116523324) is 4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol.
What is the SMILES notation for 4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol?
The canonical SMILES for 4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol is COCC(O)CCC1CCC(C)(C)O1.
What is the InChIKey of 4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol?
The InChIKey is GSYSAMAQWNSBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-11(2)7-6-10(14-11)5-4-9(12)8-13-3/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol?
4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol has a molecular weight of 202.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-dimethyloxolan-2-yl)-1-methoxybutan-2-ol is sourced from PubChem (CID 116523324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).