(1R,10R,11S,14S,18S)-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione

C19H24O3 — CID 171355834

IUPAC(1R,10R,11S,14S,18S)-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione
SMILESC[C@]12CCC(=O)C=C1C1OC1[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChIInChI=1S/C19H24O3/c1-18-7-5-10(20)9-13(18)16-17(22-16)15-11-3-4-14(21)19(11,2)8-6-12(15)18/h9,11-12,15-17H,3-8H2,1-2H3/t11-,12-,15-,16?,17?,18+,19-/m0/s1
InChIKeyVXUAXLOVFFOKOO-ZDAPDXHPSA-N
MW300.40 g/mol
LogP3.07
Rot. Bonds

About (1R,10R,11S,14S,18S)-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione

(1R,10R,11S,14S,18S)-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione (PubChem CID 171355834) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is (1R,10R,11S,14S,18S)-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione.

Molecular Properties

Compound Name(1R,10R,11S,14S,18S)-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione
PubChem CID171355834
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name(1R,10R,11S,14S,18S)-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione
SMILESC[C@]12CCC(=O)C=C1C1OC1[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChIInChI=1S/C19H24O3/c1-18-7-5-10(20)9-13(18)16-17(22-16)15-11-3-4-14(21)19(11,2)8-6-12(15)18/h9,11-12,15-17H,3-8H2,1-2H3/t11-,12-,15-,16?,17?,18+,19-/m0/s1
InChIKeyVXUAXLOVFFOKOO-ZDAPDXHPSA-N
XLogP3.07
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R,10R,11S,14S,18S)-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,10R,11S,14S,18S)-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione?
The IUPAC name of (1R,10R,11S,14S,18S)-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione (CID 171355834) is (1R,10R,11S,14S,18S)-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione.
What is the SMILES notation for (1R,10R,11S,14S,18S)-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione?
The canonical SMILES for (1R,10R,11S,14S,18S)-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione is C[C@]12CCC(=O)C=C1C1OC1[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.
What is the InChIKey of (1R,10R,11S,14S,18S)-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione?
The InChIKey is VXUAXLOVFFOKOO-ZDAPDXHPSA-N. The full InChI is InChI=1S/C19H24O3/c1-18-7-5-10(20)9-13(18)16-17(22-16)15-11-3-4-14(21)19(11,2)8-6-12(15)18/h9,11-12,15-17H,3-8H2,1-2H3/t11-,12-,15-,16?,17?,18+,19-/m0/s1.
What are the key properties of (1R,10R,11S,14S,18S)-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione?
(1R,10R,11S,14S,18S)-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione has a molecular weight of 300.40 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R,11S,14S,18S)-10,14-dimethyl-3-oxapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione is sourced from PubChem (CID 171355834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).