(1R,5S)-4-methylidene-1-propan-2-ylspiro[4.5]deca-2,8-diene-8-carboxylic acid

C15H20O2 — CID 51040470

IUPAC(1R,5S)-4-methylidene-1-propan-2-ylspiro[4.5]deca-2,8-diene-8-carboxylic acid
SMILESC=C1C=C[C@@H](C(C)C)[C@]12CC=C(C(=O)O)CC2
InChIInChI=1S/C15H20O2/c1-10(2)13-5-4-11(3)15(13)8-6-12(7-9-15)14(16)17/h4-6,10,13H,3,7-9H2,1-2H3,(H,16,17)/t13-,15-/m0/s1
InChIKeyNNQORNHPOYUTFB-ZFWWWQNUSA-N
MW232.32 g/mol
LogP3.57
Rot. Bonds2

About (1R,5S)-4-methylidene-1-propan-2-ylspiro[4.5]deca-2,8-diene-8-carboxylic acid

(1R,5S)-4-methylidene-1-propan-2-ylspiro[4.5]deca-2,8-diene-8-carboxylic acid (PubChem CID 51040470) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1R,5S)-4-methylidene-1-propan-2-ylspiro[4.5]deca-2,8-diene-8-carboxylic acid.

Molecular Properties

Compound Name(1R,5S)-4-methylidene-1-propan-2-ylspiro[4.5]deca-2,8-diene-8-carboxylic acid
PubChem CID51040470
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1R,5S)-4-methylidene-1-propan-2-ylspiro[4.5]deca-2,8-diene-8-carboxylic acid
SMILESC=C1C=C[C@@H](C(C)C)[C@]12CC=C(C(=O)O)CC2
InChIInChI=1S/C15H20O2/c1-10(2)13-5-4-11(3)15(13)8-6-12(7-9-15)14(16)17/h4-6,10,13H,3,7-9H2,1-2H3,(H,16,17)/t13-,15-/m0/s1
InChIKeyNNQORNHPOYUTFB-ZFWWWQNUSA-N
XLogP3.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-4-methylidene-1-propan-2-ylspiro[4.5]deca-2,8-diene-8-carboxylic acid?
The IUPAC name of (1R,5S)-4-methylidene-1-propan-2-ylspiro[4.5]deca-2,8-diene-8-carboxylic acid (CID 51040470) is (1R,5S)-4-methylidene-1-propan-2-ylspiro[4.5]deca-2,8-diene-8-carboxylic acid.
What is the SMILES notation for (1R,5S)-4-methylidene-1-propan-2-ylspiro[4.5]deca-2,8-diene-8-carboxylic acid?
The canonical SMILES for (1R,5S)-4-methylidene-1-propan-2-ylspiro[4.5]deca-2,8-diene-8-carboxylic acid is C=C1C=C[C@@H](C(C)C)[C@]12CC=C(C(=O)O)CC2.
What is the InChIKey of (1R,5S)-4-methylidene-1-propan-2-ylspiro[4.5]deca-2,8-diene-8-carboxylic acid?
The InChIKey is NNQORNHPOYUTFB-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H20O2/c1-10(2)13-5-4-11(3)15(13)8-6-12(7-9-15)14(16)17/h4-6,10,13H,3,7-9H2,1-2H3,(H,16,17)/t13-,15-/m0/s1.
What are the key properties of (1R,5S)-4-methylidene-1-propan-2-ylspiro[4.5]deca-2,8-diene-8-carboxylic acid?
(1R,5S)-4-methylidene-1-propan-2-ylspiro[4.5]deca-2,8-diene-8-carboxylic acid has a molecular weight of 232.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-4-methylidene-1-propan-2-ylspiro[4.5]deca-2,8-diene-8-carboxylic acid is sourced from PubChem (CID 51040470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).