(1R,2S,10S,11S,15R)-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,8-diene-5,14-diol

C18H26O3 — CID 66708715

IUPAC(1R,2S,10S,11S,15R)-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,8-diene-5,14-diol
SMILESC[C@]12C=CC(O)CC1C=C[C@@H]1[C@H]2OC[C@]2(C)C(O)CC[C@@H]12
InChIInChI=1S/C18H26O3/c1-17-8-7-12(19)9-11(17)3-4-13-14-5-6-15(20)18(14,2)10-21-16(13)17/h3-4,7-8,11-16,19-20H,5-6,9-10H2,1-2H3/t11?,12?,13-,14-,15?,16+,17-,18-/m0/s1
InChIKeyDTWONCQRBHFOBH-GDRDMVIMSA-N
MW290.40 g/mol
LogP2.29
Rot. Bonds

About (1R,2S,10S,11S,15R)-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,8-diene-5,14-diol

(1R,2S,10S,11S,15R)-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,8-diene-5,14-diol (PubChem CID 66708715) has the molecular formula C18H26O3 and a molecular weight of 290.40 g/mol. Its IUPAC name is (1R,2S,10S,11S,15R)-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,8-diene-5,14-diol.

Molecular Properties

Compound Name(1R,2S,10S,11S,15R)-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,8-diene-5,14-diol
PubChem CID66708715
Molecular FormulaC18H26O3
Molecular Weight290.40 g/mol
Exact Mass290.19
IUPAC Name(1R,2S,10S,11S,15R)-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,8-diene-5,14-diol
SMILESC[C@]12C=CC(O)CC1C=C[C@@H]1[C@H]2OC[C@]2(C)C(O)CC[C@@H]12
InChIInChI=1S/C18H26O3/c1-17-8-7-12(19)9-11(17)3-4-13-14-5-6-15(20)18(14,2)10-21-16(13)17/h3-4,7-8,11-16,19-20H,5-6,9-10H2,1-2H3/t11?,12?,13-,14-,15?,16+,17-,18-/m0/s1
InChIKeyDTWONCQRBHFOBH-GDRDMVIMSA-N
XLogP2.29
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2S,10S,11S,15R)-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,8-diene-5,14-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,10S,11S,15R)-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,8-diene-5,14-diol?
The IUPAC name of (1R,2S,10S,11S,15R)-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,8-diene-5,14-diol (CID 66708715) is (1R,2S,10S,11S,15R)-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,8-diene-5,14-diol.
What is the SMILES notation for (1R,2S,10S,11S,15R)-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,8-diene-5,14-diol?
The canonical SMILES for (1R,2S,10S,11S,15R)-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,8-diene-5,14-diol is C[C@]12C=CC(O)CC1C=C[C@@H]1[C@H]2OC[C@]2(C)C(O)CC[C@@H]12.
What is the InChIKey of (1R,2S,10S,11S,15R)-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,8-diene-5,14-diol?
The InChIKey is DTWONCQRBHFOBH-GDRDMVIMSA-N. The full InChI is InChI=1S/C18H26O3/c1-17-8-7-12(19)9-11(17)3-4-13-14-5-6-15(20)18(14,2)10-21-16(13)17/h3-4,7-8,11-16,19-20H,5-6,9-10H2,1-2H3/t11?,12?,13-,14-,15?,16+,17-,18-/m0/s1.
What are the key properties of (1R,2S,10S,11S,15R)-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,8-diene-5,14-diol?
(1R,2S,10S,11S,15R)-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,8-diene-5,14-diol has a molecular weight of 290.40 g/mol, XLogP of 2.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,10S,11S,15R)-2,15-dimethyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-3,8-diene-5,14-diol is sourced from PubChem (CID 66708715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).