8-ethenyl-5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylic acid

C14H20O2 — CID 71435171

IUPAC8-ethenyl-5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylic acid
SMILESC=CC1CCC(=C)C2CCC(C(=O)O)CC12
InChIInChI=1S/C14H20O2/c1-3-10-5-4-9(2)12-7-6-11(14(15)16)8-13(10)12/h3,10-13H,1-2,4-8H2,(H,15,16)
InChIKeyLVMMRDGQYKXADO-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.26
Rot. Bonds2

About 8-ethenyl-5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylic acid

8-ethenyl-5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylic acid (PubChem CID 71435171) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 8-ethenyl-5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name8-ethenyl-5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylic acid
PubChem CID71435171
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name8-ethenyl-5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylic acid
SMILESC=CC1CCC(=C)C2CCC(C(=O)O)CC12
InChIInChI=1S/C14H20O2/c1-3-10-5-4-9(2)12-7-6-11(14(15)16)8-13(10)12/h3,10-13H,1-2,4-8H2,(H,15,16)
InChIKeyLVMMRDGQYKXADO-UHFFFAOYSA-N
XLogP3.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 8-ethenyl-5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylic acid (CID 71435171) is 8-ethenyl-5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 8-ethenyl-5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 8-ethenyl-5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylic acid is C=CC1CCC(=C)C2CCC(C(=O)O)CC12.
What is the InChIKey of 8-ethenyl-5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is LVMMRDGQYKXADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-10-5-4-9(2)12-7-6-11(14(15)16)8-13(10)12/h3,10-13H,1-2,4-8H2,(H,15,16).
What are the key properties of 8-ethenyl-5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylic acid?
8-ethenyl-5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 220.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-5-methylidene-2,3,4,4a,6,7,8,8a-octahydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 71435171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).