(2R)-5-hydroxy-2,3a,6,6-tetramethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid

C18H30O3 — CID 143220878

IUPAC(2R)-5-hydroxy-2,3a,6,6-tetramethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid
SMILESC[C@@H]1CC2C3CCCC(C)(C)C3C(O)CC2(C)C1C(=O)O
InChIInChI=1S/C18H30O3/c1-10-8-12-11-6-5-7-17(2,3)15(11)13(19)9-18(12,4)14(10)16(20)21/h10-15,19H,5-9H2,1-4H3,(H,20,21)/t10-,11?,12?,13?,14?,15?,18?/m1/s1
InChIKeySAZDOZYWPAWWRW-LYBUURSTSA-N
MW294.43 g/mol
LogP3.56
Rot. Bonds1

About (2R)-5-hydroxy-2,3a,6,6-tetramethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid

(2R)-5-hydroxy-2,3a,6,6-tetramethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid (PubChem CID 143220878) has the molecular formula C18H30O3 and a molecular weight of 294.43 g/mol. Its IUPAC name is (2R)-5-hydroxy-2,3a,6,6-tetramethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid.

Molecular Properties

Compound Name(2R)-5-hydroxy-2,3a,6,6-tetramethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid
PubChem CID143220878
Molecular FormulaC18H30O3
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Name(2R)-5-hydroxy-2,3a,6,6-tetramethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid
SMILESC[C@@H]1CC2C3CCCC(C)(C)C3C(O)CC2(C)C1C(=O)O
InChIInChI=1S/C18H30O3/c1-10-8-12-11-6-5-7-17(2,3)15(11)13(19)9-18(12,4)14(10)16(20)21/h10-15,19H,5-9H2,1-4H3,(H,20,21)/t10-,11?,12?,13?,14?,15?,18?/m1/s1
InChIKeySAZDOZYWPAWWRW-LYBUURSTSA-N
XLogP3.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-5-hydroxy-2,3a,6,6-tetramethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-hydroxy-2,3a,6,6-tetramethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid?
The IUPAC name of (2R)-5-hydroxy-2,3a,6,6-tetramethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid (CID 143220878) is (2R)-5-hydroxy-2,3a,6,6-tetramethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid.
What is the SMILES notation for (2R)-5-hydroxy-2,3a,6,6-tetramethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid?
The canonical SMILES for (2R)-5-hydroxy-2,3a,6,6-tetramethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid is C[C@@H]1CC2C3CCCC(C)(C)C3C(O)CC2(C)C1C(=O)O.
What is the InChIKey of (2R)-5-hydroxy-2,3a,6,6-tetramethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid?
The InChIKey is SAZDOZYWPAWWRW-LYBUURSTSA-N. The full InChI is InChI=1S/C18H30O3/c1-10-8-12-11-6-5-7-17(2,3)15(11)13(19)9-18(12,4)14(10)16(20)21/h10-15,19H,5-9H2,1-4H3,(H,20,21)/t10-,11?,12?,13?,14?,15?,18?/m1/s1.
What are the key properties of (2R)-5-hydroxy-2,3a,6,6-tetramethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid?
(2R)-5-hydroxy-2,3a,6,6-tetramethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid has a molecular weight of 294.43 g/mol, XLogP of 3.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-hydroxy-2,3a,6,6-tetramethyl-2,3,4,5,5a,7,8,9,9a,9b-decahydro-1H-cyclopenta[a]naphthalene-3-carboxylic acid is sourced from PubChem (CID 143220878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).