5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one

C18H30O2 — CID 57227825

IUPAC5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
SMILESCC(C)C1C=CC(COC(C)(C)C)CC=CC(=O)CC1
InChIInChI=1S/C18H30O2/c1-14(2)16-10-9-15(13-20-18(3,4)5)7-6-8-17(19)12-11-16/h6,8-10,14-16H,7,11-13H2,1-5H3
InChIKeyLMKHTJGMJCYEDG-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.56
Rot. Bonds3

About 5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one

5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one (PubChem CID 57227825) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one.

Molecular Properties

Compound Name5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
PubChem CID57227825
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one
SMILESCC(C)C1C=CC(COC(C)(C)C)CC=CC(=O)CC1
InChIInChI=1S/C18H30O2/c1-14(2)16-10-9-15(13-20-18(3,4)5)7-6-8-17(19)12-11-16/h6,8-10,14-16H,7,11-13H2,1-5H3
InChIKeyLMKHTJGMJCYEDG-UHFFFAOYSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The IUPAC name of 5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one (CID 57227825) is 5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one.
What is the SMILES notation for 5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The canonical SMILES for 5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one is CC(C)C1C=CC(COC(C)(C)C)CC=CC(=O)CC1.
What is the InChIKey of 5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one?
The InChIKey is LMKHTJGMJCYEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-14(2)16-10-9-15(13-20-18(3,4)5)7-6-8-17(19)12-11-16/h6,8-10,14-16H,7,11-13H2,1-5H3.
What are the key properties of 5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one?
5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one has a molecular weight of 278.44 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpropan-2-yl)oxymethyl]-8-propan-2-ylcyclodeca-2,6-dien-1-one is sourced from PubChem (CID 57227825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).