(8R,8aS)-5-methyl-8-propan-2-yl-3,7,8,8a-tetrahydronaphthalene-2-carboxylic acid

C15H20O2 — CID 127038340

IUPAC(8R,8aS)-5-methyl-8-propan-2-yl-3,7,8,8a-tetrahydronaphthalene-2-carboxylic acid
SMILESCC1=CC[C@H](C(C)C)[C@H]2C=C(C(=O)O)CC=C12
InChIInChI=1S/C15H20O2/c1-9(2)12-6-4-10(3)13-7-5-11(15(16)17)8-14(12)13/h4,7-9,12,14H,5-6H2,1-3H3,(H,16,17)/t12-,14-/m1/s1
InChIKeySYIFYDJVINSJIJ-TZMCWYRMSA-N
MW232.32 g/mol
LogP3.57
Rot. Bonds2

About (8R,8aS)-5-methyl-8-propan-2-yl-3,7,8,8a-tetrahydronaphthalene-2-carboxylic acid

(8R,8aS)-5-methyl-8-propan-2-yl-3,7,8,8a-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 127038340) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (8R,8aS)-5-methyl-8-propan-2-yl-3,7,8,8a-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(8R,8aS)-5-methyl-8-propan-2-yl-3,7,8,8a-tetrahydronaphthalene-2-carboxylic acid
PubChem CID127038340
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(8R,8aS)-5-methyl-8-propan-2-yl-3,7,8,8a-tetrahydronaphthalene-2-carboxylic acid
SMILESCC1=CC[C@H](C(C)C)[C@H]2C=C(C(=O)O)CC=C12
InChIInChI=1S/C15H20O2/c1-9(2)12-6-4-10(3)13-7-5-11(15(16)17)8-14(12)13/h4,7-9,12,14H,5-6H2,1-3H3,(H,16,17)/t12-,14-/m1/s1
InChIKeySYIFYDJVINSJIJ-TZMCWYRMSA-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 (8R,8aS)-5-methyl-8-propan-2-yl-3,7,8,8a-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of (8R,8aS)-5-methyl-8-propan-2-yl-3,7,8,8a-tetrahydronaphthalene-2-carboxylic acid (CID 127038340) is (8R,8aS)-5-methyl-8-propan-2-yl-3,7,8,8a-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for (8R,8aS)-5-methyl-8-propan-2-yl-3,7,8,8a-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for (8R,8aS)-5-methyl-8-propan-2-yl-3,7,8,8a-tetrahydronaphthalene-2-carboxylic acid is CC1=CC[C@H](C(C)C)[C@H]2C=C(C(=O)O)CC=C12.
What is the InChIKey of (8R,8aS)-5-methyl-8-propan-2-yl-3,7,8,8a-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is SYIFYDJVINSJIJ-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H20O2/c1-9(2)12-6-4-10(3)13-7-5-11(15(16)17)8-14(12)13/h4,7-9,12,14H,5-6H2,1-3H3,(H,16,17)/t12-,14-/m1/s1.
What are the key properties of (8R,8aS)-5-methyl-8-propan-2-yl-3,7,8,8a-tetrahydronaphthalene-2-carboxylic acid?
(8R,8aS)-5-methyl-8-propan-2-yl-3,7,8,8a-tetrahydronaphthalene-2-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 (8R,8aS)-5-methyl-8-propan-2-yl-3,7,8,8a-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 127038340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).