1-(1-methoxycyclooctyl)propan-1-one

C12H22O2 — CID 83225194

IUPAC1-(1-methoxycyclooctyl)propan-1-one
SMILESCCC(=O)C1(OC)CCCCCCC1
InChIInChI=1S/C12H22O2/c1-3-11(13)12(14-2)9-7-5-4-6-8-10-12/h3-10H2,1-2H3
InChIKeyPPPWXHRUACLDNU-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.10
Rot. Bonds3

About 1-(1-methoxycyclooctyl)propan-1-one

1-(1-methoxycyclooctyl)propan-1-one (PubChem CID 83225194) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(1-methoxycyclooctyl)propan-1-one.

Molecular Properties

Compound Name1-(1-methoxycyclooctyl)propan-1-one
PubChem CID83225194
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name1-(1-methoxycyclooctyl)propan-1-one
SMILESCCC(=O)C1(OC)CCCCCCC1
InChIInChI=1S/C12H22O2/c1-3-11(13)12(14-2)9-7-5-4-6-8-10-12/h3-10H2,1-2H3
InChIKeyPPPWXHRUACLDNU-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclooctyl)propan-1-one?
The IUPAC name of 1-(1-methoxycyclooctyl)propan-1-one (CID 83225194) is 1-(1-methoxycyclooctyl)propan-1-one.
What is the SMILES notation for 1-(1-methoxycyclooctyl)propan-1-one?
The canonical SMILES for 1-(1-methoxycyclooctyl)propan-1-one is CCC(=O)C1(OC)CCCCCCC1.
What is the InChIKey of 1-(1-methoxycyclooctyl)propan-1-one?
The InChIKey is PPPWXHRUACLDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-3-11(13)12(14-2)9-7-5-4-6-8-10-12/h3-10H2,1-2H3.
What are the key properties of 1-(1-methoxycyclooctyl)propan-1-one?
1-(1-methoxycyclooctyl)propan-1-one has a molecular weight of 198.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclooctyl)propan-1-one is sourced from PubChem (CID 83225194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).