1-cyclopropyl-1-methoxytetradecan-2-one

C18H34O2 — CID 116708948

IUPAC1-cyclopropyl-1-methoxytetradecan-2-one
SMILESCCCCCCCCCCCCC(=O)C(OC)C1CC1
InChIInChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-17(19)18(20-2)16-14-15-16/h16,18H,3-15H2,1-2H3
InChIKeyLPYBRZNSVPTETK-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.29
Rot. Bonds14

About 1-cyclopropyl-1-methoxytetradecan-2-one

1-cyclopropyl-1-methoxytetradecan-2-one (PubChem CID 116708948) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-cyclopropyl-1-methoxytetradecan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-1-methoxytetradecan-2-one
PubChem CID116708948
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name1-cyclopropyl-1-methoxytetradecan-2-one
SMILESCCCCCCCCCCCCC(=O)C(OC)C1CC1
InChIInChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-17(19)18(20-2)16-14-15-16/h16,18H,3-15H2,1-2H3
InChIKeyLPYBRZNSVPTETK-UHFFFAOYSA-N
XLogP5.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 157179330
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CID 10266604
1-[(2S,3S)-3-(5-methylhexyl)oxiran-2-yl]decan-1-one
CID 101666498
1-[(2S,3R)-3-(5-methylhexanoyl)oxiran-2-yl]decan-1-one
CID 101666501
10-(8-Methoxyoctoxy)-10-methylundecane-2,9-dione
CID 23405004
7-Oxabicyclo[14.1.0]heptadecane-5,9-dione
CID 57158774
14-Methyl-16-oxabicyclo[10.3.1]hexadecan-2-one
CID 57935605
8-Methyl-1-(2-oxopropoxy)nonan-2-one
CID 58371222
2-(Cyclopentylmethoxy)-5,5-dimethyl-1-(2-methylcyclopropyl)hexan-3-one
CID 59143468
2-(Cyclopropylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one
CID 59143476
2-(Cyclopentylmethoxy)-5-methyl-1-(2-methylcyclopropyl)hexan-3-one
CID 59143487
2-(Cyclopentylmethoxy)-1-cyclopropyl-5-methylhexan-3-one
CID 59143495

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-methoxytetradecan-2-one?
The IUPAC name of 1-cyclopropyl-1-methoxytetradecan-2-one (CID 116708948) is 1-cyclopropyl-1-methoxytetradecan-2-one.
What is the SMILES notation for 1-cyclopropyl-1-methoxytetradecan-2-one?
The canonical SMILES for 1-cyclopropyl-1-methoxytetradecan-2-one is CCCCCCCCCCCCC(=O)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-methoxytetradecan-2-one?
The InChIKey is LPYBRZNSVPTETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-17(19)18(20-2)16-14-15-16/h16,18H,3-15H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-methoxytetradecan-2-one?
1-cyclopropyl-1-methoxytetradecan-2-one has a molecular weight of 282.47 g/mol, XLogP of 5.29, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-methoxytetradecan-2-one is sourced from PubChem (CID 116708948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).