(15-methoxy-5,14,14-trimethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-10,12-dien-6-yl) acetate

C24H34O4 — CID 626978

IUPAC(15-methoxy-5,14,14-trimethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-10,12-dien-6-yl) acetate
SMILESCOC12CCC3(CO1)C(=CC=C1C3CCC3(C)C(OC(C)=O)CCC13)C2(C)C
InChIInChI=1S/C24H34O4/c1-15(25)28-20-9-7-17-16-6-8-19-21(2,3)24(26-5)13-12-23(19,14-27-24)18(16)10-11-22(17,20)4/h6,8,17-18,20H,7,9-14H2,1-5H3
InChIKeyVNEGIGYOBKRLQN-UHFFFAOYSA-N
MW386.53 g/mol
LogP4.79
Rot. Bonds2

About (15-methoxy-5,14,14-trimethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-10,12-dien-6-yl) acetate

(15-methoxy-5,14,14-trimethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-10,12-dien-6-yl) acetate (PubChem CID 626978) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is (15-methoxy-5,14,14-trimethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-10,12-dien-6-yl) acetate.

Molecular Properties

Compound Name(15-methoxy-5,14,14-trimethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-10,12-dien-6-yl) acetate
PubChem CID626978
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Name(15-methoxy-5,14,14-trimethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-10,12-dien-6-yl) acetate
SMILESCOC12CCC3(CO1)C(=CC=C1C3CCC3(C)C(OC(C)=O)CCC13)C2(C)C
InChIInChI=1S/C24H34O4/c1-15(25)28-20-9-7-17-16-6-8-19-21(2,3)24(26-5)13-12-23(19,14-27-24)18(16)10-11-22(17,20)4/h6,8,17-18,20H,7,9-14H2,1-5H3
InChIKeyVNEGIGYOBKRLQN-UHFFFAOYSA-N
XLogP4.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (15-methoxy-5,14,14-trimethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-10,12-dien-6-yl) acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (15-methoxy-5,14,14-trimethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-10,12-dien-6-yl) acetate?
The IUPAC name of (15-methoxy-5,14,14-trimethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-10,12-dien-6-yl) acetate (CID 626978) is (15-methoxy-5,14,14-trimethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-10,12-dien-6-yl) acetate.
What is the SMILES notation for (15-methoxy-5,14,14-trimethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-10,12-dien-6-yl) acetate?
The canonical SMILES for (15-methoxy-5,14,14-trimethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-10,12-dien-6-yl) acetate is COC12CCC3(CO1)C(=CC=C1C3CCC3(C)C(OC(C)=O)CCC13)C2(C)C.
What is the InChIKey of (15-methoxy-5,14,14-trimethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-10,12-dien-6-yl) acetate?
The InChIKey is VNEGIGYOBKRLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O4/c1-15(25)28-20-9-7-17-16-6-8-19-21(2,3)24(26-5)13-12-23(19,14-27-24)18(16)10-11-22(17,20)4/h6,8,17-18,20H,7,9-14H2,1-5H3.
What are the key properties of (15-methoxy-5,14,14-trimethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-10,12-dien-6-yl) acetate?
(15-methoxy-5,14,14-trimethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-10,12-dien-6-yl) acetate has a molecular weight of 386.53 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (15-methoxy-5,14,14-trimethyl-16-oxapentacyclo[13.2.2.01,13.02,10.05,9]nonadeca-10,12-dien-6-yl) acetate is sourced from PubChem (CID 626978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).