5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid

C11H16O4S — CID 175271309

IUPAC5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid
SMILESC=CCC1C=CC=CC1=CC.O=S(=O)(O)O
InChIInChI=1S/C11H14.H2O4S/c1-3-7-11-9-6-5-8-10(11)4-2;1-5(2,3)4/h3-6,8-9,11H,1,7H2,2H3;(H2,1,2,3,4)
InChIKeyLHWYJCCZFDXBGB-UHFFFAOYSA-N
MW244.31 g/mol
LogP2.60
Rot. Bonds2

About 5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid

5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid (PubChem CID 175271309) has the molecular formula C11H16O4S and a molecular weight of 244.31 g/mol. Its IUPAC name is 5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid.

Molecular Properties

Compound Name5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid
PubChem CID175271309
Molecular FormulaC11H16O4S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid
SMILESC=CCC1C=CC=CC1=CC.O=S(=O)(O)O
InChIInChI=1S/C11H14.H2O4S/c1-3-7-11-9-6-5-8-10(11)4-2;1-5(2,3)4/h3-6,8-9,11H,1,7H2,2H3;(H2,1,2,3,4)
InChIKeyLHWYJCCZFDXBGB-UHFFFAOYSA-N
XLogP2.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

5-methylidene-6-prop-2-enylcyclohexa-1,3-diene;2H-triazole
CID 174823510
5-ethylidene-6-methylcyclohexa-1,3-diene
CID 123649762
(6-ethylidenecyclohexa-2,4-dien-1-yl)-methyl-oxophosphanium
CID 150471654
bis(6-ethylidenecyclohexa-2,4-diene-1-carboxylic acid);hexanedioic acid
CID 70442974
5-hydroxy-6-methyl-3-prop-2-enyl-3H-pyridin-4-one
CID 67830666
3-prop-2-enyl-3H-azepin-2-amine
CID 141023882
6-ethylidenecyclohexa-2,4-diene-1-carbonitrile
CID 174674334
6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-2,4-dien-1-ol
CID 173140122
(4R,5S)-4-hydroxy-5-prop-2-enylcyclopent-2-en-1-one
CID 58012719
sulfuric acid;trimethyl(prop-2-enyl)azanium;chloride
CID 175609144
(2,3-dimethylcyclohepta-1,4,6-trien-1-yl)-hydroxy-oxo-sulfanylidene-λ6-sulfane
CID 123330518
1-methyl-6-prop-2-enylcyclohexa-2,4-dien-1-amine
CID 134378481

Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid?
The IUPAC name of 5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid (CID 175271309) is 5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid.
What is the SMILES notation for 5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid?
The canonical SMILES for 5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid is C=CCC1C=CC=CC1=CC.O=S(=O)(O)O.
What is the InChIKey of 5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid?
The InChIKey is LHWYJCCZFDXBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.H2O4S/c1-3-7-11-9-6-5-8-10(11)4-2;1-5(2,3)4/h3-6,8-9,11H,1,7H2,2H3;(H2,1,2,3,4).
What are the key properties of 5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid?
5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid has a molecular weight of 244.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid is sourced from PubChem (CID 175271309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).