(1R,6R,10R,11S)-3,13-dimethyl-8,15-dioxatetracyclo[9.3.1.01,6.06,10]pentadeca-2,13-dien-7-one

C15H18O3 — CID 23651215

IUPAC(1R,6R,10R,11S)-3,13-dimethyl-8,15-dioxatetracyclo[9.3.1.01,6.06,10]pentadeca-2,13-dien-7-one
SMILESCC1=C[C@]23C=C(C)C[C@H](O2)[C@H]2COC(=O)[C@]23CC1
InChIInChI=1S/C15H18O3/c1-9-3-4-15-11(8-17-13(15)16)12-5-10(2)7-14(15,6-9)18-12/h6-7,11-12H,3-5,8H2,1-2H3/t11-,12+,14-,15+/m1/s1
InChIKeyYXZRMZMSHRWRLO-OSRDXIQISA-N
MW246.31 g/mol
LogP2.37
Rot. Bonds

About (1R,6R,10R,11S)-3,13-dimethyl-8,15-dioxatetracyclo[9.3.1.01,6.06,10]pentadeca-2,13-dien-7-one

(1R,6R,10R,11S)-3,13-dimethyl-8,15-dioxatetracyclo[9.3.1.01,6.06,10]pentadeca-2,13-dien-7-one (PubChem CID 23651215) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (1R,6R,10R,11S)-3,13-dimethyl-8,15-dioxatetracyclo[9.3.1.01,6.06,10]pentadeca-2,13-dien-7-one.

Molecular Properties

Compound Name(1R,6R,10R,11S)-3,13-dimethyl-8,15-dioxatetracyclo[9.3.1.01,6.06,10]pentadeca-2,13-dien-7-one
PubChem CID23651215
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(1R,6R,10R,11S)-3,13-dimethyl-8,15-dioxatetracyclo[9.3.1.01,6.06,10]pentadeca-2,13-dien-7-one
SMILESCC1=C[C@]23C=C(C)C[C@H](O2)[C@H]2COC(=O)[C@]23CC1
InChIInChI=1S/C15H18O3/c1-9-3-4-15-11(8-17-13(15)16)12-5-10(2)7-14(15,6-9)18-12/h6-7,11-12H,3-5,8H2,1-2H3/t11-,12+,14-,15+/m1/s1
InChIKeyYXZRMZMSHRWRLO-OSRDXIQISA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,6R,10R,11S)-3,13-dimethyl-8,15-dioxatetracyclo[9.3.1.01,6.06,10]pentadeca-2,13-dien-7-one?
The IUPAC name of (1R,6R,10R,11S)-3,13-dimethyl-8,15-dioxatetracyclo[9.3.1.01,6.06,10]pentadeca-2,13-dien-7-one (CID 23651215) is (1R,6R,10R,11S)-3,13-dimethyl-8,15-dioxatetracyclo[9.3.1.01,6.06,10]pentadeca-2,13-dien-7-one.
What is the SMILES notation for (1R,6R,10R,11S)-3,13-dimethyl-8,15-dioxatetracyclo[9.3.1.01,6.06,10]pentadeca-2,13-dien-7-one?
The canonical SMILES for (1R,6R,10R,11S)-3,13-dimethyl-8,15-dioxatetracyclo[9.3.1.01,6.06,10]pentadeca-2,13-dien-7-one is CC1=C[C@]23C=C(C)C[C@H](O2)[C@H]2COC(=O)[C@]23CC1.
What is the InChIKey of (1R,6R,10R,11S)-3,13-dimethyl-8,15-dioxatetracyclo[9.3.1.01,6.06,10]pentadeca-2,13-dien-7-one?
The InChIKey is YXZRMZMSHRWRLO-OSRDXIQISA-N. The full InChI is InChI=1S/C15H18O3/c1-9-3-4-15-11(8-17-13(15)16)12-5-10(2)7-14(15,6-9)18-12/h6-7,11-12H,3-5,8H2,1-2H3/t11-,12+,14-,15+/m1/s1.
What are the key properties of (1R,6R,10R,11S)-3,13-dimethyl-8,15-dioxatetracyclo[9.3.1.01,6.06,10]pentadeca-2,13-dien-7-one?
(1R,6R,10R,11S)-3,13-dimethyl-8,15-dioxatetracyclo[9.3.1.01,6.06,10]pentadeca-2,13-dien-7-one has a molecular weight of 246.31 g/mol, XLogP of 2.37, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,10R,11S)-3,13-dimethyl-8,15-dioxatetracyclo[9.3.1.01,6.06,10]pentadeca-2,13-dien-7-one is sourced from PubChem (CID 23651215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).