1-cycloheptyloxy-3-ethylheptan-2-one

C16H30O2 — CID 134575358

IUPAC1-cycloheptyloxy-3-ethylheptan-2-one
SMILESCCCCC(CC)C(=O)COC1CCCCCC1
InChIInChI=1S/C16H30O2/c1-3-5-10-14(4-2)16(17)13-18-15-11-8-6-7-9-12-15/h14-15H,3-13H2,1-2H3
InChIKeyDSEUAKILWNNXPU-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.51
Rot. Bonds8

About 1-cycloheptyloxy-3-ethylheptan-2-one

1-cycloheptyloxy-3-ethylheptan-2-one (PubChem CID 134575358) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 1-cycloheptyloxy-3-ethylheptan-2-one.

Molecular Properties

Compound Name1-cycloheptyloxy-3-ethylheptan-2-one
PubChem CID134575358
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name1-cycloheptyloxy-3-ethylheptan-2-one
SMILESCCCCC(CC)C(=O)COC1CCCCCC1
InChIInChI=1S/C16H30O2/c1-3-5-10-14(4-2)16(17)13-18-15-11-8-6-7-9-12-15/h14-15H,3-13H2,1-2H3
InChIKeyDSEUAKILWNNXPU-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23002045
cyclohexyl butanoate;2-ethylhexanoic acid;zinc
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3-cyclohexyloxycarbonylheptanoic acid
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N-cyclopentyl-2-ethylhexanamide
CID 4146053
cyclohexane;2-ethylhexanoic acid;nickel
CID 174366727
1-cyclobutyloxy-3-methylbutan-2-one
CID 79396416
(3S)-1-chloro-3-ethylheptan-2-one
CID 163500403
2-cyclohexylpropan-2-yl 2-ethylhexaneperoxoate
CID 71344963
N-butyl-2-cyclohexyloxy-N-ethylacetamide
CID 87000824
cyclohexyl 2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]hexanoate
CID 70587590
1-cyclohexyloxy-5-methylhexan-2-one
CID 174714498

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyloxy-3-ethylheptan-2-one?
The IUPAC name of 1-cycloheptyloxy-3-ethylheptan-2-one (CID 134575358) is 1-cycloheptyloxy-3-ethylheptan-2-one.
What is the SMILES notation for 1-cycloheptyloxy-3-ethylheptan-2-one?
The canonical SMILES for 1-cycloheptyloxy-3-ethylheptan-2-one is CCCCC(CC)C(=O)COC1CCCCCC1.
What is the InChIKey of 1-cycloheptyloxy-3-ethylheptan-2-one?
The InChIKey is DSEUAKILWNNXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-5-10-14(4-2)16(17)13-18-15-11-8-6-7-9-12-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-cycloheptyloxy-3-ethylheptan-2-one?
1-cycloheptyloxy-3-ethylheptan-2-one has a molecular weight of 254.41 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyloxy-3-ethylheptan-2-one is sourced from PubChem (CID 134575358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).