1-(cycloocten-1-yl)-2-methoxy-2-methylpropan-1-one

C13H22O2 — CID 106652032

IUPAC1-(cycloocten-1-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)C1=CCCCCCC1
InChIInChI=1S/C13H22O2/c1-13(2,15-3)12(14)11-9-7-5-4-6-8-10-11/h9H,4-8,10H2,1-3H3
InChIKeyKMRVMCPSTHJVOR-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.26
Rot. Bonds3

About 1-(cycloocten-1-yl)-2-methoxy-2-methylpropan-1-one

1-(cycloocten-1-yl)-2-methoxy-2-methylpropan-1-one (PubChem CID 106652032) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-methoxy-2-methylpropan-1-one
PubChem CID106652032
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-(cycloocten-1-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)C1=CCCCCCC1
InChIInChI=1S/C13H22O2/c1-13(2,15-3)12(14)11-9-7-5-4-6-8-10-11/h9H,4-8,10H2,1-3H3
InChIKeyKMRVMCPSTHJVOR-UHFFFAOYSA-N
XLogP3.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131309
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Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-(cycloocten-1-yl)-2-methoxy-2-methylpropan-1-one (CID 106652032) is 1-(cycloocten-1-yl)-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-(cycloocten-1-yl)-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-methoxy-2-methylpropan-1-one?
The InChIKey is KMRVMCPSTHJVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-13(2,15-3)12(14)11-9-7-5-4-6-8-10-11/h9H,4-8,10H2,1-3H3.
What are the key properties of 1-(cycloocten-1-yl)-2-methoxy-2-methylpropan-1-one?
1-(cycloocten-1-yl)-2-methoxy-2-methylpropan-1-one has a molecular weight of 210.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 106652032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).