(7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran

C10H18O — CID 144757851

IUPAC(7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
SMILESCC1CC[C@@]2(C)OCCC2C1
InChIInChI=1S/C10H18O/c1-8-3-5-10(2)9(7-8)4-6-11-10/h8-9H,3-7H2,1-2H3/t8?,9?,10-/m1/s1
InChIKeyCTHHRPILDZHSPQ-UDNWOFFPSA-N
MW154.25 g/mol
LogP2.60
Rot. Bonds

About (7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran

(7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran (PubChem CID 144757851) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran.

Molecular Properties

Compound Name(7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
PubChem CID144757851
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
SMILESCC1CC[C@@]2(C)OCCC2C1
InChIInChI=1S/C10H18O/c1-8-3-5-10(2)9(7-8)4-6-11-10/h8-9H,3-7H2,1-2H3/t8?,9?,10-/m1/s1
InChIKeyCTHHRPILDZHSPQ-UDNWOFFPSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran with MolForge

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Related Compounds

(3aR,7aR)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 11469119
(3aR,7aS)-7a-methyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran
CID 124636274
1-methyl-2-oxabicyclo[2.2.0]hexane
CID 119098021
8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
CID 58800826
4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
CID 79912522
1,2,6,8a-tetramethyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
CID 143423059
(3aS,5aR,9aS,9bR)-3a,6,6-trimethyl-1,2,4,5,5a,7,8,9,9a,9b-decahydrobenzo[e][1]benzofuran
CID 70475897
(3aR,9aS,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 11107366
(3aS,5aS,9aR,9bS)-3a,6,6,9a-tetramethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran
CID 12838595
5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
CID 130029475
2-cyclobutyl-N,2-dimethyloxan-4-amine
CID 131020831
2-cyclobutyl-2-methyloxan-4-amine
CID 126985978

Frequently Asked Questions

What is the IUPAC name of (7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran?
The IUPAC name of (7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran (CID 144757851) is (7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran.
What is the SMILES notation for (7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran?
The canonical SMILES for (7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran is CC1CC[C@@]2(C)OCCC2C1.
What is the InChIKey of (7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran?
The InChIKey is CTHHRPILDZHSPQ-UDNWOFFPSA-N. The full InChI is InChI=1S/C10H18O/c1-8-3-5-10(2)9(7-8)4-6-11-10/h8-9H,3-7H2,1-2H3/t8?,9?,10-/m1/s1.
What are the key properties of (7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran?
(7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran has a molecular weight of 154.25 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-1-benzofuran is sourced from PubChem (CID 144757851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).