2-[(E)-3,3-dimethylbut-1-enyl]-2,3-dihydrofuran

C10H16O — CID 135056653

IUPAC2-[(E)-3,3-dimethylbut-1-enyl]-2,3-dihydrofuran
SMILESCC(C)(C)/C=C/C1CC=CO1
InChIInChI=1S/C10H16O/c1-10(2,3)7-6-9-5-4-8-11-9/h4,6-9H,5H2,1-3H3/b7-6+
InChIKeyBPHNVPZTGBOURX-VOTSOKGWSA-N
MW152.24 g/mol
LogP2.89
Rot. Bonds1

About 2-[(E)-3,3-dimethylbut-1-enyl]-2,3-dihydrofuran

2-[(E)-3,3-dimethylbut-1-enyl]-2,3-dihydrofuran (PubChem CID 135056653) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-[(E)-3,3-dimethylbut-1-enyl]-2,3-dihydrofuran.

Molecular Properties

Compound Name2-[(E)-3,3-dimethylbut-1-enyl]-2,3-dihydrofuran
PubChem CID135056653
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2-[(E)-3,3-dimethylbut-1-enyl]-2,3-dihydrofuran
SMILESCC(C)(C)/C=C/C1CC=CO1
InChIInChI=1S/C10H16O/c1-10(2,3)7-6-9-5-4-8-11-9/h4,6-9H,5H2,1-3H3/b7-6+
InChIKeyBPHNVPZTGBOURX-VOTSOKGWSA-N
XLogP2.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-[(E)-3,3-dimethylbut-1-enyl]-2,3-dihydrofuran?
The IUPAC name of 2-[(E)-3,3-dimethylbut-1-enyl]-2,3-dihydrofuran (CID 135056653) is 2-[(E)-3,3-dimethylbut-1-enyl]-2,3-dihydrofuran.
What is the SMILES notation for 2-[(E)-3,3-dimethylbut-1-enyl]-2,3-dihydrofuran?
The canonical SMILES for 2-[(E)-3,3-dimethylbut-1-enyl]-2,3-dihydrofuran is CC(C)(C)/C=C/C1CC=CO1.
What is the InChIKey of 2-[(E)-3,3-dimethylbut-1-enyl]-2,3-dihydrofuran?
The InChIKey is BPHNVPZTGBOURX-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H16O/c1-10(2,3)7-6-9-5-4-8-11-9/h4,6-9H,5H2,1-3H3/b7-6+.
What are the key properties of 2-[(E)-3,3-dimethylbut-1-enyl]-2,3-dihydrofuran?
2-[(E)-3,3-dimethylbut-1-enyl]-2,3-dihydrofuran has a molecular weight of 152.24 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3,3-dimethylbut-1-enyl]-2,3-dihydrofuran is sourced from PubChem (CID 135056653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).