10-methoxy-5-methylidene-11-propan-2-yl-3,8-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-12-ol

C20H22O4 — CID 91430254

IUPAC10-methoxy-5-methylidene-11-propan-2-yl-3,8-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-12-ol
SMILESC=C1COC2c3cccc4c(O)c(C(C)C)c(OC)c(c34)OC2C1
InChIInChI=1S/C20H22O4/c1-10(2)15-17(21)12-6-5-7-13-16(12)20(19(15)22-4)24-14-8-11(3)9-23-18(13)14/h5-7,10,14,18,21H,3,8-9H2,1-2,4H3
InChIKeyRIOMKYZLVRMGLE-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.46
Rot. Bonds2

About 10-methoxy-5-methylidene-11-propan-2-yl-3,8-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-12-ol

10-methoxy-5-methylidene-11-propan-2-yl-3,8-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-12-ol (PubChem CID 91430254) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 10-methoxy-5-methylidene-11-propan-2-yl-3,8-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-12-ol.

Molecular Properties

Compound Name10-methoxy-5-methylidene-11-propan-2-yl-3,8-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-12-ol
PubChem CID91430254
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name10-methoxy-5-methylidene-11-propan-2-yl-3,8-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-12-ol
SMILESC=C1COC2c3cccc4c(O)c(C(C)C)c(OC)c(c34)OC2C1
InChIInChI=1S/C20H22O4/c1-10(2)15-17(21)12-6-5-7-13-16(12)20(19(15)22-4)24-14-8-11(3)9-23-18(13)14/h5-7,10,14,18,21H,3,8-9H2,1-2,4H3
InChIKeyRIOMKYZLVRMGLE-UHFFFAOYSA-N
XLogP4.46
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-methoxy-5-methylidene-11-propan-2-yl-3,8-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-12-ol 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 10-methoxy-5-methylidene-11-propan-2-yl-3,8-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-12-ol?
The IUPAC name of 10-methoxy-5-methylidene-11-propan-2-yl-3,8-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-12-ol (CID 91430254) is 10-methoxy-5-methylidene-11-propan-2-yl-3,8-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-12-ol.
What is the SMILES notation for 10-methoxy-5-methylidene-11-propan-2-yl-3,8-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-12-ol?
The canonical SMILES for 10-methoxy-5-methylidene-11-propan-2-yl-3,8-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-12-ol is C=C1COC2c3cccc4c(O)c(C(C)C)c(OC)c(c34)OC2C1.
What is the InChIKey of 10-methoxy-5-methylidene-11-propan-2-yl-3,8-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-12-ol?
The InChIKey is RIOMKYZLVRMGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-10(2)15-17(21)12-6-5-7-13-16(12)20(19(15)22-4)24-14-8-11(3)9-23-18(13)14/h5-7,10,14,18,21H,3,8-9H2,1-2,4H3.
What are the key properties of 10-methoxy-5-methylidene-11-propan-2-yl-3,8-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-12-ol?
10-methoxy-5-methylidene-11-propan-2-yl-3,8-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-12-ol has a molecular weight of 326.39 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-5-methylidene-11-propan-2-yl-3,8-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-12-ol is sourced from PubChem (CID 91430254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).