[(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol

C10H18O2 — CID 11615249

IUPAC[(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol
SMILESCC1(C)OC[C@H]2[C@@H](CO)CC[C@H]21
InChIInChI=1S/C10H18O2/c1-10(2)9-4-3-7(5-11)8(9)6-12-10/h7-9,11H,3-6H2,1-2H3/t7-,8+,9-/m1/s1
InChIKeyZHZGIKIJNIYPBL-HRDYMLBCSA-N
MW170.25 g/mol
LogP1.43
Rot. Bonds1

About [(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol

[(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol (PubChem CID 11615249) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol.

Molecular Properties

Compound Name[(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol
PubChem CID11615249
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol
SMILESCC1(C)OC[C@H]2[C@@H](CO)CC[C@H]21
InChIInChI=1S/C10H18O2/c1-10(2)9-4-3-7(5-11)8(9)6-12-10/h7-9,11H,3-6H2,1-2H3/t7-,8+,9-/m1/s1
InChIKeyZHZGIKIJNIYPBL-HRDYMLBCSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol with MolForge

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Related Compounds

Buchariol
CID 101009028
(1S,2R,5R,6R,7S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol
CID 15922921
Chrysothol
CID 16085188
7,10S-epoxycycloneran-3,15-diol
CID 146682957
7,10R-epoxycycloneran-3,15-diol
CID 146682958
(3S)-2-methyl-5-[(1R,3S,4S,7R)-1,3,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-yl]pentane-2,3-diol
CID 163008999
rac-((1R,4S,5S)-1-methyl-2-oxabicyclo(2.2.1)heptan-5-yl)methanol
CID 155820615
(1R,2S,3S,6R,7S,10S)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[5.3.1.02,6]undecan-3-ol
CID 135033059
2,6,10,10-Tetramethyl-11-oxatricyclo[7.2.1.01,5]dodecan-7-ol
CID 78385210
1-(Oxolan-3-ylmethyl)cyclopentan-1-ol
CID 14783555
2-[(3S,3aR,6aR)-3a-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl]ethanol
CID 138974496
[(1R,4S,7R,8S,10S)-8-methyl-5-oxatricyclo[5.2.1.04,8]decan-10-yl]methanol
CID 10679009

Frequently Asked Questions

What is the IUPAC name of [(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol?
The IUPAC name of [(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol (CID 11615249) is [(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol.
What is the SMILES notation for [(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol?
The canonical SMILES for [(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol is CC1(C)OC[C@H]2[C@@H](CO)CC[C@H]21.
What is the InChIKey of [(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol?
The InChIKey is ZHZGIKIJNIYPBL-HRDYMLBCSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(2)9-4-3-7(5-11)8(9)6-12-10/h7-9,11H,3-6H2,1-2H3/t7-,8+,9-/m1/s1.
What are the key properties of [(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol?
[(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol has a molecular weight of 170.25 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6S,6aS)-3,3-dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-6-yl]methanol is sourced from PubChem (CID 11615249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).