(6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

C8H14O — CID 163594028

IUPAC(6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESCC1CCC2CCO[C@H]12
InChIInChI=1S/C8H14O/c1-6-2-3-7-4-5-9-8(6)7/h6-8H,2-5H2,1H3/t6?,7?,8-/m1/s1
InChIKeyGRWZBVYKSPGIBI-KAVNDROISA-N
MW126.20 g/mol
LogP1.82
Rot. Bonds

About (6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan

(6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (PubChem CID 163594028) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name(6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
PubChem CID163594028
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
SMILESCC1CCC2CCO[C@H]12
InChIInChI=1S/C8H14O/c1-6-2-3-7-4-5-9-8(6)7/h6-8H,2-5H2,1H3/t6?,7?,8-/m1/s1
InChIKeyGRWZBVYKSPGIBI-KAVNDROISA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dimethyl-7-oxabicyclo[4.1.0]heptane
CID 59072321
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-6-yl]methanamine
CID 172551855
acetylene;6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 168912947
(3aR,6S)-6-methyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 118370032
2-(oxan-4-yl)oxolan-3-amine
CID 79365317
2-(4-tert-butylcyclohexyl)oxolane-3-carboxylic acid
CID 104575992
2-(4-methylcyclohexyl)oxetane
CID 59188362
2-cyclopropyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]oxolan-3-amine
CID 103580891
N-butyl-2-cyclopropyloxolan-3-amine
CID 103580713
ethane;4-methyl-3,5-dioxatricyclo[5.2.2.02,6]undecane
CID 177226765
2-cyclopropyl-1,3-dimethylcyclopentane
CID 154518239
(6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147576937

Frequently Asked Questions

What is the IUPAC name of (6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The IUPAC name of (6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan (CID 163594028) is (6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for (6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The canonical SMILES for (6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is CC1CCC2CCO[C@H]12.
What is the InChIKey of (6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
The InChIKey is GRWZBVYKSPGIBI-KAVNDROISA-N. The full InChI is InChI=1S/C8H14O/c1-6-2-3-7-4-5-9-8(6)7/h6-8H,2-5H2,1H3/t6?,7?,8-/m1/s1.
What are the key properties of (6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan?
(6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan has a molecular weight of 126.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-6-methyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 163594028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).