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

C15H18O — CID 155930658

IUPAC(1S,6R,8S,14R,15S)-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene
SMILESC1=C[C@@H]2C[C@@H]3C=CCO[C@@H]4C=C(CC1)[C@H]2[C@H]34
InChIInChI=1S/C15H18O/c1-2-5-12-9-13-15-11(6-3-7-16-13)8-10(4-1)14(12)15/h1,3-4,6,9-11,13-15H,2,5,7-8H2/t10-,11+,13-,14+,15-/m1/s1
InChIKeyFRSNHMDWXNERCE-QFCKPIOYSA-N
MW214.31 g/mol
LogP3.10
Rot. Bonds

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

(1S,6R,8S,14R,15S)-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene (PubChem CID 155930658) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (1S,6R,8S,14R,15S)-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene.

Molecular Properties

Compound Name(1S,6R,8S,14R,15S)-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene
PubChem CID155930658
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(1S,6R,8S,14R,15S)-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene
SMILESC1=C[C@@H]2C[C@@H]3C=CCO[C@@H]4C=C(CC1)[C@H]2[C@H]34
InChIInChI=1S/C15H18O/c1-2-5-12-9-13-15-11(6-3-7-16-13)8-10(4-1)14(12)15/h1,3-4,6,9-11,13-15H,2,5,7-8H2/t10-,11+,13-,14+,15-/m1/s1
InChIKeyFRSNHMDWXNERCE-QFCKPIOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.10
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)-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
(1R,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene
CID 134931522
(2S,5S,6R)-5-prop-2-enoxytricyclo[5.2.1.02,6]deca-3,8-diene
CID 155929543
(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
(2R,5S,6S)-3-but-3-enyl-5-prop-2-ynoxytricyclo[5.2.1.02,6]deca-3,8-diene
CID 155930561
(1S,6R,8S,14R,15S)-4-ethenyl-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene
CID 155930659
1-[(Prop-2-en-1-yl)oxy]-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene
CID 71399943
1-Ethoxy-3a,4,7,7a-tetrahydro-1H-4,7-methanoindene
CID 13218113
4-methyl-6-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)-3,6-dihydro-2H-pyran
CID 23454480

Frequently Asked Questions

What is the IUPAC name of (1S,6R,8S,14R,15S)-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene?
The IUPAC name of (1S,6R,8S,14R,15S)-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene (CID 155930658) is (1S,6R,8S,14R,15S)-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)-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene?
The canonical SMILES for (1S,6R,8S,14R,15S)-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene is C1=C[C@@H]2C[C@@H]3C=CCO[C@@H]4C=C(CC1)[C@H]2[C@H]34.
What is the InChIKey of (1S,6R,8S,14R,15S)-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene?
The InChIKey is FRSNHMDWXNERCE-QFCKPIOYSA-N. The full InChI is InChI=1S/C15H18O/c1-2-5-12-9-13-15-11(6-3-7-16-13)8-10(4-1)14(12)15/h1,3-4,6,9-11,13-15H,2,5,7-8H2/t10-,11+,13-,14+,15-/m1/s1.
What are the key properties of (1S,6R,8S,14R,15S)-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene?
(1S,6R,8S,14R,15S)-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene has a molecular weight of 214.31 g/mol, XLogP of 3.10, 0 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)-2-oxatetracyclo[11.2.1.06,15.08,14]hexadeca-4,9,13(16)-triene is sourced from PubChem (CID 155930658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).