[5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol

C11H16O2 — CID 153317965

IUPAC[5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol
SMILESCC(C)(C)/C=C/c1ccc(CO)o1
InChIInChI=1S/C11H16O2/c1-11(2,3)7-6-9-4-5-10(8-12)13-9/h4-7,12H,8H2,1-3H3/b7-6+
InChIKeyAZJDZOKBFUMZTH-VOTSOKGWSA-N
MW180.25 g/mol
LogP2.83
Rot. Bonds2

About [5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol

[5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol (PubChem CID 153317965) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is [5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol
PubChem CID153317965
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name[5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol
SMILESCC(C)(C)/C=C/c1ccc(CO)o1
InChIInChI=1S/C11H16O2/c1-11(2,3)7-6-9-4-5-10(8-12)13-9/h4-7,12H,8H2,1-3H3/b7-6+
InChIKeyAZJDZOKBFUMZTH-VOTSOKGWSA-N
XLogP2.83
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol?
The IUPAC name of [5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol (CID 153317965) is [5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol is CC(C)(C)/C=C/c1ccc(CO)o1.
What is the InChIKey of [5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol?
The InChIKey is AZJDZOKBFUMZTH-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H16O2/c1-11(2,3)7-6-9-4-5-10(8-12)13-9/h4-7,12H,8H2,1-3H3/b7-6+.
What are the key properties of [5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol?
[5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol has a molecular weight of 180.25 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-3,3-dimethylbut-1-enyl]furan-2-yl]methanol is sourced from PubChem (CID 153317965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).