[3-(3-methoxy-3-methylbutyl)oxolan-3-yl]methanol

C11H22O3 — CID 103017983

IUPAC[3-(3-methoxy-3-methylbutyl)oxolan-3-yl]methanol
SMILESCOC(C)(C)CCC1(CO)CCOC1
InChIInChI=1S/C11H22O3/c1-10(2,13-3)4-5-11(8-12)6-7-14-9-11/h12H,4-9H2,1-3H3
InChIKeyJOUMSNCKBPUKQX-UHFFFAOYSA-N
MW202.29 g/mol
LogP1.59
Rot. Bonds5

About [3-(3-methoxy-3-methylbutyl)oxolan-3-yl]methanol

[3-(3-methoxy-3-methylbutyl)oxolan-3-yl]methanol (PubChem CID 103017983) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is [3-(3-methoxy-3-methylbutyl)oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-methoxy-3-methylbutyl)oxolan-3-yl]methanol
PubChem CID103017983
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name[3-(3-methoxy-3-methylbutyl)oxolan-3-yl]methanol
SMILESCOC(C)(C)CCC1(CO)CCOC1
InChIInChI=1S/C11H22O3/c1-10(2,13-3)4-5-11(8-12)6-7-14-9-11/h12H,4-9H2,1-3H3
InChIKeyJOUMSNCKBPUKQX-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxy-3-methylbutyl)oxolan-3-yl]methanol?
The IUPAC name of [3-(3-methoxy-3-methylbutyl)oxolan-3-yl]methanol (CID 103017983) is [3-(3-methoxy-3-methylbutyl)oxolan-3-yl]methanol.
What is the SMILES notation for [3-(3-methoxy-3-methylbutyl)oxolan-3-yl]methanol?
The canonical SMILES for [3-(3-methoxy-3-methylbutyl)oxolan-3-yl]methanol is COC(C)(C)CCC1(CO)CCOC1.
What is the InChIKey of [3-(3-methoxy-3-methylbutyl)oxolan-3-yl]methanol?
The InChIKey is JOUMSNCKBPUKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-10(2,13-3)4-5-11(8-12)6-7-14-9-11/h12H,4-9H2,1-3H3.
What are the key properties of [3-(3-methoxy-3-methylbutyl)oxolan-3-yl]methanol?
[3-(3-methoxy-3-methylbutyl)oxolan-3-yl]methanol has a molecular weight of 202.29 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxy-3-methylbutyl)oxolan-3-yl]methanol is sourced from PubChem (CID 103017983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).