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

C11H20O2 — CID 134878043

IUPAC(3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol
SMILESCCC[C@H]1CC[C@@]2(C)COC(O)[C@@H]12
InChIInChI=1S/C11H20O2/c1-3-4-8-5-6-11(2)7-13-10(12)9(8)11/h8-10,12H,3-7H2,1-2H3/t8-,9+,10?,11-/m0/s1
InChIKeyPYINZOPJQHXNRC-IXMYILBSSA-N
MW184.28 g/mol
LogP2.17
Rot. Bonds2

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

(3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol (PubChem CID 134878043) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol.

Molecular Properties

Compound Name(3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol
PubChem CID134878043
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol
SMILESCCC[C@H]1CC[C@@]2(C)COC(O)[C@@H]12
InChIInChI=1S/C11H20O2/c1-3-4-8-5-6-11(2)7-13-10(12)9(8)11/h8-10,12H,3-7H2,1-2H3/t8-,9+,10?,11-/m0/s1
InChIKeyPYINZOPJQHXNRC-IXMYILBSSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol?
The IUPAC name of (3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol (CID 134878043) is (3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol.
What is the SMILES notation for (3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol?
The canonical SMILES for (3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol is CCC[C@H]1CC[C@@]2(C)COC(O)[C@@H]12.
What is the InChIKey of (3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol?
The InChIKey is PYINZOPJQHXNRC-IXMYILBSSA-N. The full InChI is InChI=1S/C11H20O2/c1-3-4-8-5-6-11(2)7-13-10(12)9(8)11/h8-10,12H,3-7H2,1-2H3/t8-,9+,10?,11-/m0/s1.
What are the key properties of (3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol?
(3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol has a molecular weight of 184.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,6aR)-6a-methyl-4-propyl-1,3,3a,4,5,6-hexahydrocyclopenta[c]furan-3-ol is sourced from PubChem (CID 134878043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).