4,6-dimethylcyclooctan-1-one

C10H18O — CID 130038288

IUPAC4,6-dimethylcyclooctan-1-one
SMILESCC1CCC(=O)CCC(C)C1
InChIInChI=1S/C10H18O/c1-8-3-5-10(11)6-4-9(2)7-8/h8-9H,3-7H2,1-2H3
InChIKeyXSKXMUZXPOWGER-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds

About 4,6-dimethylcyclooctan-1-one

4,6-dimethylcyclooctan-1-one (PubChem CID 130038288) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4,6-dimethylcyclooctan-1-one.

Molecular Properties

Compound Name4,6-dimethylcyclooctan-1-one
PubChem CID130038288
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4,6-dimethylcyclooctan-1-one
SMILESCC1CCC(=O)CCC(C)C1
InChIInChI=1S/C10H18O/c1-8-3-5-10(11)6-4-9(2)7-8/h8-9H,3-7H2,1-2H3
InChIKeyXSKXMUZXPOWGER-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-3,3-dideuterio-4-methylcyclohexan-1-one
CID 137332365
ethane;3-methylcyclopentan-1-one
CID 142926670
methane;4-methylcyclohexan-1-one;1,1,4-trimethylcyclohexane
CID 160725349
6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-one
CID 67967191
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
6-methylcyclodecan-1-one
CID 121216307
3,5,18-trimethylcyclononadecan-1-one
CID 71369920
cyclopropanone;ethane
CID 90860291
2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-methylcyclohexan-1-one
CID 62612344
2-(diethylaminomethyl)-4-methylcyclohexan-1-one
CID 62611674
4-(2-methylpropyl)cyclohexan-1-one
CID 14740079

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethylcyclooctan-1-one?
The IUPAC name of 4,6-dimethylcyclooctan-1-one (CID 130038288) is 4,6-dimethylcyclooctan-1-one.
What is the SMILES notation for 4,6-dimethylcyclooctan-1-one?
The canonical SMILES for 4,6-dimethylcyclooctan-1-one is CC1CCC(=O)CCC(C)C1.
What is the InChIKey of 4,6-dimethylcyclooctan-1-one?
The InChIKey is XSKXMUZXPOWGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8-3-5-10(11)6-4-9(2)7-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 4,6-dimethylcyclooctan-1-one?
4,6-dimethylcyclooctan-1-one has a molecular weight of 154.25 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethylcyclooctan-1-one is sourced from PubChem (CID 130038288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).