2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-ethenyl-2,5-dihydrofuran

C15H20O — CID 10889318

IUPAC2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-ethenyl-2,5-dihydrofuran
SMILESC=CC1=CCOC1C1=CC[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C15H20O/c1-4-10-7-8-16-14(10)12-6-5-11-9-13(12)15(11,2)3/h4,6-7,11,13-14H,1,5,8-9H2,2-3H3/t11-,13-,14?/m0/s1
InChIKeyAALLGRCNLPKIKN-ULVQEXTCSA-N
MW216.32 g/mol
LogP3.49
Rot. Bonds2

About 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-ethenyl-2,5-dihydrofuran

2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-ethenyl-2,5-dihydrofuran (PubChem CID 10889318) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-ethenyl-2,5-dihydrofuran.

Molecular Properties

Compound Name2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-ethenyl-2,5-dihydrofuran
PubChem CID10889318
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-ethenyl-2,5-dihydrofuran
SMILESC=CC1=CCOC1C1=CC[C@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C15H20O/c1-4-10-7-8-16-14(10)12-6-5-11-9-13(12)15(11,2)3/h4,6-7,11,13-14H,1,5,8-9H2,2-3H3/t11-,13-,14?/m0/s1
InChIKeyAALLGRCNLPKIKN-ULVQEXTCSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.49
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-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-ethenyl-2,5-dihydrofuran?
The IUPAC name of 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-ethenyl-2,5-dihydrofuran (CID 10889318) is 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-ethenyl-2,5-dihydrofuran.
What is the SMILES notation for 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-ethenyl-2,5-dihydrofuran?
The canonical SMILES for 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-ethenyl-2,5-dihydrofuran is C=CC1=CCOC1C1=CC[C@H]2C[C@@H]1C2(C)C.
What is the InChIKey of 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-ethenyl-2,5-dihydrofuran?
The InChIKey is AALLGRCNLPKIKN-ULVQEXTCSA-N. The full InChI is InChI=1S/C15H20O/c1-4-10-7-8-16-14(10)12-6-5-11-9-13(12)15(11,2)3/h4,6-7,11,13-14H,1,5,8-9H2,2-3H3/t11-,13-,14?/m0/s1.
What are the key properties of 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-ethenyl-2,5-dihydrofuran?
2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-ethenyl-2,5-dihydrofuran has a molecular weight of 216.32 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]-3-ethenyl-2,5-dihydrofuran is sourced from PubChem (CID 10889318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).