5-methoxy-3-methyloctan-4-one

C10H20O2 — CID 116708022

IUPAC5-methoxy-3-methyloctan-4-one
SMILESCCCC(OC)C(=O)C(C)CC
InChIInChI=1S/C10H20O2/c1-5-7-9(12-4)10(11)8(3)6-2/h8-9H,5-7H2,1-4H3
InChIKeyNMEGUGSKDDJQPV-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.42
Rot. Bonds6

About 5-methoxy-3-methyloctan-4-one

5-methoxy-3-methyloctan-4-one (PubChem CID 116708022) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-methoxy-3-methyloctan-4-one.

Molecular Properties

Compound Name5-methoxy-3-methyloctan-4-one
PubChem CID116708022
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name5-methoxy-3-methyloctan-4-one
SMILESCCCC(OC)C(=O)C(C)CC
InChIInChI=1S/C10H20O2/c1-5-7-9(12-4)10(11)8(3)6-2/h8-9H,5-7H2,1-4H3
InChIKeyNMEGUGSKDDJQPV-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-methoxy-2-methyl-3-oxoheptanoate
CID 116728016
methyl (2R)-2-methoxypentanoate
CID 30403288
5-methoxy-2-methyloctan-4-one
CID 116708189
methyl N-[(4S)-6-methyl-5-oxooctan-4-yl]carbamate
CID 88946224
3-methoxy-2-oxohexanal
CID 91124811
(6S)-4,6-dimethylnonan-5-one
CID 177467625
diethyl 2-(2-methylbutanoyl)propanedioate
CID 55230175
ethyl 2,4-dimethyl-3-oxohexanoate
CID 165012883
4-methoxypentadecan-5-one
CID 116708152
5,7-diethyl-4,8-dimethylundecan-6-one
CID 139977052
3-methoxy-2-methylhex-1-ene
CID 123417422
ethyl 2-methoxybutanoate
CID 59767959

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyloctan-4-one?
The IUPAC name of 5-methoxy-3-methyloctan-4-one (CID 116708022) is 5-methoxy-3-methyloctan-4-one.
What is the SMILES notation for 5-methoxy-3-methyloctan-4-one?
The canonical SMILES for 5-methoxy-3-methyloctan-4-one is CCCC(OC)C(=O)C(C)CC.
What is the InChIKey of 5-methoxy-3-methyloctan-4-one?
The InChIKey is NMEGUGSKDDJQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-7-9(12-4)10(11)8(3)6-2/h8-9H,5-7H2,1-4H3.
What are the key properties of 5-methoxy-3-methyloctan-4-one?
5-methoxy-3-methyloctan-4-one has a molecular weight of 172.27 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyloctan-4-one is sourced from PubChem (CID 116708022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).