(5-tert-butyl-4-methyl-2,5-dihydrofuran-2-yl)methanol

C10H18O2 — CID 59796301

IUPAC(5-tert-butyl-4-methyl-2,5-dihydrofuran-2-yl)methanol
SMILESCC1=CC(CO)OC1C(C)(C)C
InChIInChI=1S/C10H18O2/c1-7-5-8(6-11)12-9(7)10(2,3)4/h5,8-9,11H,6H2,1-4H3
InChIKeyNTNOWFIXMAWACR-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.74
Rot. Bonds1

About (5-tert-butyl-4-methyl-2,5-dihydrofuran-2-yl)methanol

(5-tert-butyl-4-methyl-2,5-dihydrofuran-2-yl)methanol (PubChem CID 59796301) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (5-tert-butyl-4-methyl-2,5-dihydrofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-tert-butyl-4-methyl-2,5-dihydrofuran-2-yl)methanol
PubChem CID59796301
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(5-tert-butyl-4-methyl-2,5-dihydrofuran-2-yl)methanol
SMILESCC1=CC(CO)OC1C(C)(C)C
InChIInChI=1S/C10H18O2/c1-7-5-8(6-11)12-9(7)10(2,3)4/h5,8-9,11H,6H2,1-4H3
InChIKeyNTNOWFIXMAWACR-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-4-methyl-2,5-dihydrofuran-2-yl)methanol?
The IUPAC name of (5-tert-butyl-4-methyl-2,5-dihydrofuran-2-yl)methanol (CID 59796301) is (5-tert-butyl-4-methyl-2,5-dihydrofuran-2-yl)methanol.
What is the SMILES notation for (5-tert-butyl-4-methyl-2,5-dihydrofuran-2-yl)methanol?
The canonical SMILES for (5-tert-butyl-4-methyl-2,5-dihydrofuran-2-yl)methanol is CC1=CC(CO)OC1C(C)(C)C.
What is the InChIKey of (5-tert-butyl-4-methyl-2,5-dihydrofuran-2-yl)methanol?
The InChIKey is NTNOWFIXMAWACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-5-8(6-11)12-9(7)10(2,3)4/h5,8-9,11H,6H2,1-4H3.
What are the key properties of (5-tert-butyl-4-methyl-2,5-dihydrofuran-2-yl)methanol?
(5-tert-butyl-4-methyl-2,5-dihydrofuran-2-yl)methanol has a molecular weight of 170.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-4-methyl-2,5-dihydrofuran-2-yl)methanol is sourced from PubChem (CID 59796301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).