5-[1-(methoxymethyl)cyclopropyl]-3,3,5-trimethylhexan-2-one

C14H26O2 — CID 91491446

IUPAC5-[1-(methoxymethyl)cyclopropyl]-3,3,5-trimethylhexan-2-one
SMILESCOCC1(C(C)(C)CC(C)(C)C(C)=O)CC1
InChIInChI=1S/C14H26O2/c1-11(15)12(2,3)9-13(4,5)14(7-8-14)10-16-6/h7-10H2,1-6H3
InChIKeyUGZANMBYOMIJMY-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.44
Rot. Bonds6

About 5-[1-(methoxymethyl)cyclopropyl]-3,3,5-trimethylhexan-2-one

5-[1-(methoxymethyl)cyclopropyl]-3,3,5-trimethylhexan-2-one (PubChem CID 91491446) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-[1-(methoxymethyl)cyclopropyl]-3,3,5-trimethylhexan-2-one.

Molecular Properties

Compound Name5-[1-(methoxymethyl)cyclopropyl]-3,3,5-trimethylhexan-2-one
PubChem CID91491446
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name5-[1-(methoxymethyl)cyclopropyl]-3,3,5-trimethylhexan-2-one
SMILESCOCC1(C(C)(C)CC(C)(C)C(C)=O)CC1
InChIInChI=1S/C14H26O2/c1-11(15)12(2,3)9-13(4,5)14(7-8-14)10-16-6/h7-10H2,1-6H3
InChIKeyUGZANMBYOMIJMY-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(methoxymethyl)cyclopropyl]-3,3,5-trimethylhexan-2-one?
The IUPAC name of 5-[1-(methoxymethyl)cyclopropyl]-3,3,5-trimethylhexan-2-one (CID 91491446) is 5-[1-(methoxymethyl)cyclopropyl]-3,3,5-trimethylhexan-2-one.
What is the SMILES notation for 5-[1-(methoxymethyl)cyclopropyl]-3,3,5-trimethylhexan-2-one?
The canonical SMILES for 5-[1-(methoxymethyl)cyclopropyl]-3,3,5-trimethylhexan-2-one is COCC1(C(C)(C)CC(C)(C)C(C)=O)CC1.
What is the InChIKey of 5-[1-(methoxymethyl)cyclopropyl]-3,3,5-trimethylhexan-2-one?
The InChIKey is UGZANMBYOMIJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-11(15)12(2,3)9-13(4,5)14(7-8-14)10-16-6/h7-10H2,1-6H3.
What are the key properties of 5-[1-(methoxymethyl)cyclopropyl]-3,3,5-trimethylhexan-2-one?
5-[1-(methoxymethyl)cyclopropyl]-3,3,5-trimethylhexan-2-one has a molecular weight of 226.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methoxymethyl)cyclopropyl]-3,3,5-trimethylhexan-2-one is sourced from PubChem (CID 91491446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).