(1R,3S,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol

C11H20O2 — CID 10702643

IUPAC(1R,3S,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol
SMILESCC(C)[C@@H]1O[C@H](C)[C@]2(O)CCC[C@H]12
InChIInChI=1S/C11H20O2/c1-7(2)10-9-5-4-6-11(9,12)8(3)13-10/h7-10,12H,4-6H2,1-3H3/t8-,9-,10+,11-/m1/s1
InChIKeyLITOTOGUJMZYIT-CHWFTXMASA-N
MW184.28 g/mol
LogP1.96
Rot. Bonds1

About (1R,3S,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol

(1R,3S,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol (PubChem CID 10702643) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1R,3S,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol.

Molecular Properties

Compound Name(1R,3S,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol
PubChem CID10702643
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1R,3S,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol
SMILESCC(C)[C@@H]1O[C@H](C)[C@]2(O)CCC[C@H]12
InChIInChI=1S/C11H20O2/c1-7(2)10-9-5-4-6-11(9,12)8(3)13-10/h7-10,12H,4-6H2,1-3H3/t8-,9-,10+,11-/m1/s1
InChIKeyLITOTOGUJMZYIT-CHWFTXMASA-N
XLogP1.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol?
The IUPAC name of (1R,3S,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol (CID 10702643) is (1R,3S,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol.
What is the SMILES notation for (1R,3S,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol?
The canonical SMILES for (1R,3S,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol is CC(C)[C@@H]1O[C@H](C)[C@]2(O)CCC[C@H]12.
What is the InChIKey of (1R,3S,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol?
The InChIKey is LITOTOGUJMZYIT-CHWFTXMASA-N. The full InChI is InChI=1S/C11H20O2/c1-7(2)10-9-5-4-6-11(9,12)8(3)13-10/h7-10,12H,4-6H2,1-3H3/t8-,9-,10+,11-/m1/s1.
What are the key properties of (1R,3S,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol?
(1R,3S,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol has a molecular weight of 184.28 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,3aR,6aS)-1-methyl-3-propan-2-yl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-6a-ol is sourced from PubChem (CID 10702643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).