(1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene

C14H18O — CID 135043220

IUPAC(1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene
SMILESC1=C2CCCC=C2[C@@H]2C[C@H]3CCC[C@]13O2
InChIInChI=1S/C14H18O/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13(12)15-14/h6,9,11,13H,1-5,7-8H2/t11-,13+,14+/m1/s1
InChIKeyFWUDSCYWKULCCT-XBFCOCLRSA-N
MW202.30 g/mol
LogP3.36
Rot. Bonds

About (1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene

(1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene (PubChem CID 135043220) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene.

Molecular Properties

Compound Name(1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene
PubChem CID135043220
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene
SMILESC1=C2CCCC=C2[C@@H]2C[C@H]3CCC[C@]13O2
InChIInChI=1S/C14H18O/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13(12)15-14/h6,9,11,13H,1-5,7-8H2/t11-,13+,14+/m1/s1
InChIKeyFWUDSCYWKULCCT-XBFCOCLRSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene 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

CID 135009286
CID 135009286
15-Oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene
CID 135009287
15-Oxatetracyclo[7.5.1.01,11.03,8]pentadec-3(8)-en-2-ylideneplatinum
CID 135009436
(1R,5R,7S)-9-methyl-8-methylidene-11-oxatricyclo[5.3.1.01,5]undec-9-ene
CID 135043135
(1S,3R,4S,7S,12R)-3,10-bis(ethenyl)-8-oxatricyclo[5.4.1.04,12]dodeca-5,10-diene
CID 155929907
6,11-Epoxyguaia-4,9-diene
CID 91747443
6a-(Cyclohexen-1-yl)-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
CID 141083507
(1R,2S,6R,7R)-1,4,4,8-tetramethyl-11-oxatricyclo[5.3.1.02,6]undec-8-ene
CID 10726990
(2Z,3Z,4S)-2-butan-2-ylidene-3-ethylidene-4-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan
CID 141809001
(1R,5S)-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 160995173
(1R,5S)-14-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 160995176
(1R,5S,8S)-8-methyl-10-methylidene-15-oxatetracyclo[10.2.1.01,5.07,11]pentadeca-7(11),13-diene
CID 161213678

Frequently Asked Questions

What is the IUPAC name of (1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene?
The IUPAC name of (1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene (CID 135043220) is (1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene.
What is the SMILES notation for (1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene?
The canonical SMILES for (1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene is C1=C2CCCC=C2[C@@H]2C[C@H]3CCC[C@]13O2.
What is the InChIKey of (1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene?
The InChIKey is FWUDSCYWKULCCT-XBFCOCLRSA-N. The full InChI is InChI=1S/C14H18O/c1-2-6-12-10(4-1)9-14-7-3-5-11(14)8-13(12)15-14/h6,9,11,13H,1-5,7-8H2/t11-,13+,14+/m1/s1.
What are the key properties of (1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene?
(1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene has a molecular weight of 202.30 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S,11R)-15-oxatetracyclo[7.5.1.01,11.03,8]pentadeca-2,7-diene is sourced from PubChem (CID 135043220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).