1-(2-methylcyclopropyl)hexan-1-one

C10H18O — CID 65420379

IUPAC1-(2-methylcyclopropyl)hexan-1-one
SMILESCCCCCC(=O)C1CC1C
InChIInChI=1S/C10H18O/c1-3-4-5-6-10(11)9-7-8(9)2/h8-9H,3-7H2,1-2H3
InChIKeyDNXCSNJEXWLVKH-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.79
Rot. Bonds5

About 1-(2-methylcyclopropyl)hexan-1-one

1-(2-methylcyclopropyl)hexan-1-one (PubChem CID 65420379) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-(2-methylcyclopropyl)hexan-1-one.

Molecular Properties

Compound Name1-(2-methylcyclopropyl)hexan-1-one
PubChem CID65420379
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-(2-methylcyclopropyl)hexan-1-one
SMILESCCCCCC(=O)C1CC1C
InChIInChI=1S/C10H18O/c1-3-4-5-6-10(11)9-7-8(9)2/h8-9H,3-7H2,1-2H3
InChIKeyDNXCSNJEXWLVKH-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1R,2R)-2-methylcyclopropyl]dodecan-1-one
CID 134964567
1-(2-methylcyclopentyl)hexan-1-one
CID 107186773
4-ethylsulfonyl-1-(2-methylcyclopropyl)butan-1-one
CID 65420809
1-(2-methylcyclopentyl)decan-1-one
CID 107186745
1-(2-methylcyclopentyl)heptan-1-one
CID 107186756
(1R)-2-hexanoylcyclobutane-1-carbonyl fluoride
CID 155467999
1-(4-methylpyrrolidin-3-yl)decan-1-one
CID 116572424
1-[(1S,2R)-2-tetradecylcyclopropyl]hexan-1-one
CID 101388120
1-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]hexan-1-one
CID 102272291
4-methyl-1-(2-methylcyclopropyl)pentan-1-one
CID 65421248
ethyl 4-(2-methylcyclopropyl)-4-oxobutanoate
CID 66322746
1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-one
CID 114969082

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropyl)hexan-1-one?
The IUPAC name of 1-(2-methylcyclopropyl)hexan-1-one (CID 65420379) is 1-(2-methylcyclopropyl)hexan-1-one.
What is the SMILES notation for 1-(2-methylcyclopropyl)hexan-1-one?
The canonical SMILES for 1-(2-methylcyclopropyl)hexan-1-one is CCCCCC(=O)C1CC1C.
What is the InChIKey of 1-(2-methylcyclopropyl)hexan-1-one?
The InChIKey is DNXCSNJEXWLVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-4-5-6-10(11)9-7-8(9)2/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(2-methylcyclopropyl)hexan-1-one?
1-(2-methylcyclopropyl)hexan-1-one has a molecular weight of 154.25 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropyl)hexan-1-one is sourced from PubChem (CID 65420379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).