(1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene

C17H20O — CID 155930659

IUPAC(1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene
SMILESC=CC1=C[C@H]2C[C@H]3C=CCCC4=C[C@@H](OC1)[C@@H]2[C@H]43
InChIInChI=1S/C17H20O/c1-2-11-7-14-8-12-5-3-4-6-13-9-15(18-10-11)17(14)16(12)13/h2-3,5,7,9,12,14-17H,1,4,6,8,10H2/t12-,14+,15-,16+,17-/m1/s1
InChIKeyFFPAFXXAIHKMSD-LMLQULGWSA-N
MW240.35 g/mol
LogP3.66
Rot. Bonds1

About (1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene

(1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene (PubChem CID 155930659) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is (1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene.

Molecular Properties

Compound Name(1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene
PubChem CID155930659
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name(1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene
SMILESC=CC1=C[C@H]2C[C@H]3C=CCCC4=C[C@@H](OC1)[C@@H]2[C@H]43
InChIInChI=1S/C17H20O/c1-2-11-7-14-8-12-5-3-4-6-13-9-15(18-10-11)17(14)16(12)13/h2-3,5,7,9,12,14-17H,1,4,6,8,10H2/t12-,14+,15-,16+,17-/m1/s1
InChIKeyFFPAFXXAIHKMSD-LMLQULGWSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene with MolForge

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Related Compounds

2H-Pyran, tetrahydro-2,4-dimethyl-6-(3-methylbicyclo(2.2.1)hept-5-en-2-yl)-, didehydro deriv.
CID 23454481
(12S)-12-methoxy-13-methylidenetricyclo[7.3.1.02,8]tridec-10-ene
CID 134855581
(1S,3R,4S,7S,12R)-3-ethenyl-8-oxatricyclo[5.4.1.04,12]dodeca-5,10-diene
CID 155929906
(1S,3R,4S,7S,12R)-3,10-bis(ethenyl)-8-oxatricyclo[5.4.1.04,12]dodeca-5,10-diene
CID 155929907
(2R,5S,6S)-3-but-3-enyl-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene
CID 155930560
(1S,6R,8S,14R,15S)-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene
CID 155930658
Cyclopentano-6-oxa-1,3-cycloheptadiene
CID 156024600
4-methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
CID 23454480
6-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran
CID 23454483
2-(2-bicyclo[2.2.1]hept-5-enyl)-4-methyl-3,6-dihydro-2H-pyran
CID 23454484
2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyl-3,6-dihydro-2H-pyran
CID 23454494
4-methyl-2-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
CID 23454495

Frequently Asked Questions

What is the IUPAC name of (1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene?
The IUPAC name of (1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene (CID 155930659) is (1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene.
What is the SMILES notation for (1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene?
The canonical SMILES for (1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene is C=CC1=C[C@H]2C[C@H]3C=CCCC4=C[C@@H](OC1)[C@@H]2[C@H]43.
What is the InChIKey of (1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene?
The InChIKey is FFPAFXXAIHKMSD-LMLQULGWSA-N. The full InChI is InChI=1S/C17H20O/c1-2-11-7-14-8-12-5-3-4-6-13-9-15(18-10-11)17(14)16(12)13/h2-3,5,7,9,12,14-17H,1,4,6,8,10H2/t12-,14+,15-,16+,17-/m1/s1.
What are the key properties of (1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene?
(1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene has a molecular weight of 240.35 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene is sourced from PubChem (CID 155930659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).