6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene

C19H26O — CID 130253472

IUPAC6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene
SMILESCC12CC=C3C=C4CCCCC45CCC3(O5)C1CCC2
InChIInChI=1S/C19H26O/c1-17-8-4-6-16(17)19-12-11-18(20-19)9-3-2-5-14(18)13-15(19)7-10-17/h7,13,16H,2-6,8-12H2,1H3
InChIKeyDBOAOCZPCQVJRI-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.92
Rot. Bonds

About 6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene

6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene (PubChem CID 130253472) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene.

Molecular Properties

Compound Name6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene
PubChem CID130253472
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene
SMILESCC12CC=C3C=C4CCCCC45CCC3(O5)C1CCC2
InChIInChI=1S/C19H26O/c1-17-8-4-6-16(17)19-12-11-18(20-19)9-3-2-5-14(18)13-15(19)7-10-17/h7,13,16H,2-6,8-12H2,1H3
InChIKeyDBOAOCZPCQVJRI-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene?
The IUPAC name of 6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene (CID 130253472) is 6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene.
What is the SMILES notation for 6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene?
The canonical SMILES for 6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene is CC12CC=C3C=C4CCCCC45CCC3(O5)C1CCC2.
What is the InChIKey of 6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene?
The InChIKey is DBOAOCZPCQVJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-17-8-4-6-16(17)19-12-11-18(20-19)9-3-2-5-14(18)13-15(19)7-10-17/h7,13,16H,2-6,8-12H2,1H3.
What are the key properties of 6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene?
6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene has a molecular weight of 270.42 g/mol, XLogP of 4.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-19-oxapentacyclo[14.2.1.01,9.02,6.011,16]nonadeca-8,10-diene is sourced from PubChem (CID 130253472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).