2-(cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one

C15H26O2 — CID 59143476

IUPAC2-(cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one
SMILESCC(C)CC(=O)C(CC1CC1C)OCC1CC1
InChIInChI=1S/C15H26O2/c1-10(2)6-14(16)15(8-13-7-11(13)3)17-9-12-4-5-12/h10-13,15H,4-9H2,1-3H3
InChIKeyHWYDUDSYLMBVCC-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.44
Rot. Bonds8

About 2-(cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one

2-(cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one (PubChem CID 59143476) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one
PubChem CID59143476
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one
SMILESCC(C)CC(=O)C(CC1CC1C)OCC1CC1
InChIInChI=1S/C15H26O2/c1-10(2)6-14(16)15(8-13-7-11(13)3)17-9-12-4-5-12/h10-13,15H,4-9H2,1-3H3
InChIKeyHWYDUDSYLMBVCC-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S,3R)-3-butyloxiran-2-yl]-2-methylpropan-1-one
CID 134931058
(4S)-2,2-dibutyl-4-cyclopropyloxetan-3-one
CID 134965647
1-[(2S,3S)-3-butyloxiran-2-yl]-2-methylpropan-1-one
CID 134993253
7-Oxabicyclo[14.1.0]heptadecane-5,9-dione
CID 57158774
8-Methyl-1-(2-oxopropoxy)nonan-2-one
CID 58371222
(1-Cyclopropyl-3,7,7-trideuterio-4-methyl-2-oxooctan-3-yl) acetate
CID 58519804
2-(Cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one
CID 59143468
1-Cyclopentyl-2-ethoxy-5-methylhexan-3-one
CID 59143471
1-Cyclopentyl-5-methyl-2-propoxyhexan-3-one
CID 59143484
2-(Cyclopentylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one
CID 59143487
1-Cyclobutyl-2-ethoxy-5-methylhexan-3-one
CID 59143493
2-(Cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one
CID 59143495

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one?
The IUPAC name of 2-(cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one (CID 59143476) is 2-(cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one.
What is the SMILES notation for 2-(cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one?
The canonical SMILES for 2-(cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one is CC(C)CC(=O)C(CC1CC1C)OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one?
The InChIKey is HWYDUDSYLMBVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)6-14(16)15(8-13-7-11(13)3)17-9-12-4-5-12/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 2-(cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one?
2-(cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one has a molecular weight of 238.37 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one is sourced from PubChem (CID 59143476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).