butylbenzene;carbonic acid

C11H16O3 — CID 158278492

IUPACbutylbenzene;carbonic acid
SMILESCCCCc1ccccc1.O=C(O)O
InChIInChI=1S/C10H14.CH2O3/c1-2-3-7-10-8-5-4-6-9-10;2-1(3)4/h4-6,8-9H,2-3,7H2,1H3;(H2,2,3,4)
InChIKeyGJXJMUKOJVFTBX-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.25
Rot. Bonds3

About butylbenzene;carbonic acid

butylbenzene;carbonic acid (PubChem CID 158278492) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is butylbenzene;carbonic acid.

Molecular Properties

Compound Namebutylbenzene;carbonic acid
PubChem CID158278492
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namebutylbenzene;carbonic acid
SMILESCCCCc1ccccc1.O=C(O)O
InChIInChI=1S/C10H14.CH2O3/c1-2-3-7-10-8-5-4-6-9-10;2-1(3)4/h4-6,8-9H,2-3,7H2,1H3;(H2,2,3,4)
InChIKeyGJXJMUKOJVFTBX-UHFFFAOYSA-N
XLogP3.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

carbonic acid;pentylbenzene
CID 157127683
butylbenzene;hydroxylamine
CID 175142403
butylbenzene;propylbenzene
CID 142022125
hexylbenzene;hydrogen peroxide
CID 90001206
butylbenzene;ethyl carbamate
CID 175305774
octacosylbenzene
CID 14228596
octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
2-fluoroacetic acid;nonylbenzene
CID 162096715
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900

Frequently Asked Questions

What is the IUPAC name of butylbenzene;carbonic acid?
The IUPAC name of butylbenzene;carbonic acid (CID 158278492) is butylbenzene;carbonic acid.
What is the SMILES notation for butylbenzene;carbonic acid?
The canonical SMILES for butylbenzene;carbonic acid is CCCCc1ccccc1.O=C(O)O.
What is the InChIKey of butylbenzene;carbonic acid?
The InChIKey is GJXJMUKOJVFTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.CH2O3/c1-2-3-7-10-8-5-4-6-9-10;2-1(3)4/h4-6,8-9H,2-3,7H2,1H3;(H2,2,3,4).
What are the key properties of butylbenzene;carbonic acid?
butylbenzene;carbonic acid has a molecular weight of 196.25 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butylbenzene;carbonic acid is sourced from PubChem (CID 158278492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).