10-(oxan-2-yloxymethyl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one

C16H20O3 — CID 559244

IUPAC10-(oxan-2-yloxymethyl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one
SMILESO=C1C2C=CC1C1C=CC2C1COC1CCCCO1
InChIInChI=1S/C16H20O3/c17-16-12-6-7-13(16)11-5-4-10(12)14(11)9-19-15-3-1-2-8-18-15/h4-7,10-15H,1-3,8-9H2
InChIKeyFALNCPBBACCLOU-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.33
Rot. Bonds3

About 10-(oxan-2-yloxymethyl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one

10-(oxan-2-yloxymethyl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one (PubChem CID 559244) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 10-(oxan-2-yloxymethyl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one.

Molecular Properties

Compound Name10-(oxan-2-yloxymethyl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one
PubChem CID559244
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name10-(oxan-2-yloxymethyl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one
SMILESO=C1C2C=CC1C1C=CC2C1COC1CCCCO1
InChIInChI=1S/C16H20O3/c17-16-12-6-7-13(16)11-5-4-10(12)14(11)9-19-15-3-1-2-8-18-15/h4-7,10-15H,1-3,8-9H2
InChIKeyFALNCPBBACCLOU-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.33
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 10-(oxan-2-yloxymethyl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one?
The IUPAC name of 10-(oxan-2-yloxymethyl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one (CID 559244) is 10-(oxan-2-yloxymethyl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one.
What is the SMILES notation for 10-(oxan-2-yloxymethyl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one?
The canonical SMILES for 10-(oxan-2-yloxymethyl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one is O=C1C2C=CC1C1C=CC2C1COC1CCCCO1.
What is the InChIKey of 10-(oxan-2-yloxymethyl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one?
The InChIKey is FALNCPBBACCLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c17-16-12-6-7-13(16)11-5-4-10(12)14(11)9-19-15-3-1-2-8-18-15/h4-7,10-15H,1-3,8-9H2.
What are the key properties of 10-(oxan-2-yloxymethyl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one?
10-(oxan-2-yloxymethyl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one has a molecular weight of 260.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(oxan-2-yloxymethyl)tricyclo[4.2.1.12,5]deca-3,7-dien-9-one is sourced from PubChem (CID 559244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).