carbonic acid;styrene;triethyl(methyl)azanium

C16H28NO3+ — CID 174590917

IUPACcarbonic acid;styrene;triethyl(methyl)azanium
SMILESC=Cc1ccccc1.CC[N+](C)(CC)CC.O=C(O)O
InChIInChI=1S/C8H8.C7H18N.CH2O3/c1-2-8-6-4-3-5-7-8;1-5-8(4,6-2)7-3;2-1(3)4/h2-7H,1H2;5-7H2,1-4H3;(H2,2,3,4)/q;+1;
InChIKeyDSULAOQOLCLMQO-UHFFFAOYSA-N
MW282.40 g/mol
LogP4.04
Rot. Bonds4

About carbonic acid;styrene;triethyl(methyl)azanium

carbonic acid;styrene;triethyl(methyl)azanium (PubChem CID 174590917) has the molecular formula C16H28NO3+ and a molecular weight of 282.40 g/mol. Its IUPAC name is carbonic acid;styrene;triethyl(methyl)azanium.

Molecular Properties

Compound Namecarbonic acid;styrene;triethyl(methyl)azanium
PubChem CID174590917
Molecular FormulaC16H28NO3+
Molecular Weight282.40 g/mol
Exact Mass282.21
IUPAC Namecarbonic acid;styrene;triethyl(methyl)azanium
SMILESC=Cc1ccccc1.CC[N+](C)(CC)CC.O=C(O)O
InChIInChI=1S/C8H8.C7H18N.CH2O3/c1-2-8-6-4-3-5-7-8;1-5-8(4,6-2)7-3;2-1(3)4/h2-7H,1H2;5-7H2,1-4H3;(H2,2,3,4)/q;+1;
InChIKeyDSULAOQOLCLMQO-UHFFFAOYSA-N
XLogP4.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;styrene;triethyl(methyl)azanium?
The IUPAC name of carbonic acid;styrene;triethyl(methyl)azanium (CID 174590917) is carbonic acid;styrene;triethyl(methyl)azanium.
What is the SMILES notation for carbonic acid;styrene;triethyl(methyl)azanium?
The canonical SMILES for carbonic acid;styrene;triethyl(methyl)azanium is C=Cc1ccccc1.CC[N+](C)(CC)CC.O=C(O)O.
What is the InChIKey of carbonic acid;styrene;triethyl(methyl)azanium?
The InChIKey is DSULAOQOLCLMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C7H18N.CH2O3/c1-2-8-6-4-3-5-7-8;1-5-8(4,6-2)7-3;2-1(3)4/h2-7H,1H2;5-7H2,1-4H3;(H2,2,3,4)/q;+1;.
What are the key properties of carbonic acid;styrene;triethyl(methyl)azanium?
carbonic acid;styrene;triethyl(methyl)azanium has a molecular weight of 282.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;styrene;triethyl(methyl)azanium is sourced from PubChem (CID 174590917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).