(3-oxocyclohexyl) hydrogen carbonate;styrene

C15H18O4 — CID 174675684

IUPAC(3-oxocyclohexyl) hydrogen carbonate;styrene
SMILESC=Cc1ccccc1.O=C1CCCC(OC(=O)O)C1
InChIInChI=1S/C8H8.C7H10O4/c1-2-8-6-4-3-5-7-8;8-5-2-1-3-6(4-5)11-7(9)10/h2-7H,1H2;6H,1-4H2,(H,9,10)
InChIKeyBXCCJXDJXSUFCQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.52
Rot. Bonds2

About (3-oxocyclohexyl) hydrogen carbonate;styrene

(3-oxocyclohexyl) hydrogen carbonate;styrene (PubChem CID 174675684) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3-oxocyclohexyl) hydrogen carbonate;styrene.

Molecular Properties

Compound Name(3-oxocyclohexyl) hydrogen carbonate;styrene
PubChem CID174675684
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name(3-oxocyclohexyl) hydrogen carbonate;styrene
SMILESC=Cc1ccccc1.O=C1CCCC(OC(=O)O)C1
InChIInChI=1S/C8H8.C7H10O4/c1-2-8-6-4-3-5-7-8;8-5-2-1-3-6(4-5)11-7(9)10/h2-7H,1H2;6H,1-4H2,(H,9,10)
InChIKeyBXCCJXDJXSUFCQ-UHFFFAOYSA-N
XLogP3.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-phenoxyethoxy)cyclohexan-1-one
CID 79619233
(4-oxocycloheptyl) benzoate
CID 24971560
cyclopropane;styrene
CID 173239473
prop-2-enoic acid;styrene
CID 160851252
ethene;[2-(hydroxymethyl)cyclopentyl]methanol;styrene
CID 162435875
(2S)-pyrrolidine-2-carboxylic acid;styrene
CID 175001935
(Z)-but-2-enedioic acid;styrene
CID 67731875
2-hydroxyprop-2-enoic acid;styrene
CID 67611169
CID 173404758
CID 173404758
oxepan-2-one;styrene
CID 129313990
methyl carbamate;oxetane;styrene
CID 68829385
ethenol;styrene
CID 66670047

Frequently Asked Questions

What is the IUPAC name of (3-oxocyclohexyl) hydrogen carbonate;styrene?
The IUPAC name of (3-oxocyclohexyl) hydrogen carbonate;styrene (CID 174675684) is (3-oxocyclohexyl) hydrogen carbonate;styrene.
What is the SMILES notation for (3-oxocyclohexyl) hydrogen carbonate;styrene?
The canonical SMILES for (3-oxocyclohexyl) hydrogen carbonate;styrene is C=Cc1ccccc1.O=C1CCCC(OC(=O)O)C1.
What is the InChIKey of (3-oxocyclohexyl) hydrogen carbonate;styrene?
The InChIKey is BXCCJXDJXSUFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C7H10O4/c1-2-8-6-4-3-5-7-8;8-5-2-1-3-6(4-5)11-7(9)10/h2-7H,1H2;6H,1-4H2,(H,9,10).
What are the key properties of (3-oxocyclohexyl) hydrogen carbonate;styrene?
(3-oxocyclohexyl) hydrogen carbonate;styrene has a molecular weight of 262.31 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxocyclohexyl) hydrogen carbonate;styrene is sourced from PubChem (CID 174675684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).