11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene

C18H24O3 — CID 139828915

IUPAC11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene
SMILESCOC1C2CC(C1OC)C1C3OC(C4C5C=CC(C5)C34)C21
InChIInChI=1S/C18H24O3/c1-19-15-9-6-10(16(15)20-2)14-13(9)17-11-7-3-4-8(5-7)12(11)18(14)21-17/h3-4,7-18H,5-6H2,1-2H3
InChIKeyTYHSMQXIPSZYMS-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.12
Rot. Bonds2

About 11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene

11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene (PubChem CID 139828915) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene.

Molecular Properties

Compound Name11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene
PubChem CID139828915
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene
SMILESCOC1C2CC(C1OC)C1C3OC(C4C5C=CC(C5)C34)C21
InChIInChI=1S/C18H24O3/c1-19-15-9-6-10(16(15)20-2)14-13(9)17-11-7-3-4-8(5-7)12(11)18(14)21-17/h3-4,7-18H,5-6H2,1-2H3
InChIKeyTYHSMQXIPSZYMS-UHFFFAOYSA-N
XLogP2.12
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.12
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 11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene?
The IUPAC name of 11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene (CID 139828915) is 11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene.
What is the SMILES notation for 11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene?
The canonical SMILES for 11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene is COC1C2CC(C1OC)C1C3OC(C4C5C=CC(C5)C34)C21.
What is the InChIKey of 11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene?
The InChIKey is TYHSMQXIPSZYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-19-15-9-6-10(16(15)20-2)14-13(9)17-11-7-3-4-8(5-7)12(11)18(14)21-17/h3-4,7-18H,5-6H2,1-2H3.
What are the key properties of 11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene?
11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene has a molecular weight of 288.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene is sourced from PubChem (CID 139828915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).