(2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol

C19H36O2 — CID 71207455

IUPAC(2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol
SMILESCC(C)[C@]1(C)[C@H]2[C@H](C)[C@@H](CC[C@@H](C)CO)O[C@H]2CC1(C)C
InChIInChI=1S/C19H36O2/c1-12(2)19(7)17-14(4)15(9-8-13(3)11-20)21-16(17)10-18(19,5)6/h12-17,20H,8-11H2,1-7H3/t13-,14-,15-,16+,17+,19-/m1/s1
InChIKeyMMEPGASNQTXEAD-WRPWXNSMSA-N
MW296.50 g/mol
LogP4.51
Rot. Bonds5

About (2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol

(2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol (PubChem CID 71207455) has the molecular formula C19H36O2 and a molecular weight of 296.50 g/mol. Its IUPAC name is (2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol
PubChem CID71207455
Molecular FormulaC19H36O2
Molecular Weight296.50 g/mol
Exact Mass296.27
IUPAC Name(2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol
SMILESCC(C)[C@]1(C)[C@H]2[C@H](C)[C@@H](CC[C@@H](C)CO)O[C@H]2CC1(C)C
InChIInChI=1S/C19H36O2/c1-12(2)19(7)17-14(4)15(9-8-13(3)11-20)21-16(17)10-18(19,5)6/h12-17,20H,8-11H2,1-7H3/t13-,14-,15-,16+,17+,19-/m1/s1
InChIKeyMMEPGASNQTXEAD-WRPWXNSMSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,10S-epoxycycloneran-3,15-diol
CID 146682957
7,10R-epoxycycloneran-3,15-diol
CID 146682958
(1s,3r,5s)-3-(2-Methoxyethyl)-2,2,5-trimethylcyclopentanol
CID 15348637
(3R,4R)-1-[(2S,3aR,4S,5R,6aS)-5-methyl-2-pentyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-4-yl]-4-fluorooctan-3-ol
CID 57321713
1-[3-[5-(2,3-Dimethylbutyl)oxolan-2-yl]-2,2-dimethylpropyl]cyclopentan-1-ol
CID 146250424
[(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol
CID 11615249
(1r,3r,5s)-3-(2-Methoxyethyl)-2,2,5-trimethylcyclopentanol
CID 15348634
(1r,3r,5r)-3-(2-Methoxyethyl)-2,2,5-trimethylcyclopentanol
CID 15348635
(1s,3r,5r)-3-(2-Methoxyethyl)-2,2,5-trimethylcyclopentanol
CID 15348636
2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol
CID 138974496
(2R,3R,3aS,6aR)-3-butoxy-2-(butoxymethyl)-5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan
CID 5273069
(1R,3aS,4R,6aR)-6a-(2-hydroxyethyl)-4-methoxy-2,3,3a,4,5,6-hexahydro-1H-pentalen-1-ol
CID 10420329

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol?
The IUPAC name of (2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol (CID 71207455) is (2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol.
What is the SMILES notation for (2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol?
The canonical SMILES for (2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol is CC(C)[C@]1(C)[C@H]2[C@H](C)[C@@H](CC[C@@H](C)CO)O[C@H]2CC1(C)C.
What is the InChIKey of (2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol?
The InChIKey is MMEPGASNQTXEAD-WRPWXNSMSA-N. The full InChI is InChI=1S/C19H36O2/c1-12(2)19(7)17-14(4)15(9-8-13(3)11-20)21-16(17)10-18(19,5)6/h12-17,20H,8-11H2,1-7H3/t13-,14-,15-,16+,17+,19-/m1/s1.
What are the key properties of (2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol?
(2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2R,3S,3aR,4R,6aS)-3,4,5,5-tetramethyl-4-propan-2-yl-3,3a,6,6a-tetrahydro-2H-cyclopenta[b]furan-2-yl]-2-methylbutan-1-ol is sourced from PubChem (CID 71207455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).