(8aR)-4,8a-dimethyl-1,3,7,8-tetrahydrocyclohepta[c]furan

C11H16O — CID 135054971

IUPAC(8aR)-4,8a-dimethyl-1,3,7,8-tetrahydrocyclohepta[c]furan
SMILESCC1=C2COC[C@]2(C)CCC=C1
InChIInChI=1S/C11H16O/c1-9-5-3-4-6-11(2)8-12-7-10(9)11/h3,5H,4,6-8H2,1-2H3/t11-/m0/s1
InChIKeyFQNYBZTWONTUNU-NSHDSACASA-N
MW164.25 g/mol
LogP2.69
Rot. Bonds

About (8aR)-4,8a-dimethyl-1,3,7,8-tetrahydrocyclohepta[c]furan

(8aR)-4,8a-dimethyl-1,3,7,8-tetrahydrocyclohepta[c]furan (PubChem CID 135054971) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (8aR)-4,8a-dimethyl-1,3,7,8-tetrahydrocyclohepta[c]furan.

Molecular Properties

Compound Name(8aR)-4,8a-dimethyl-1,3,7,8-tetrahydrocyclohepta[c]furan
PubChem CID135054971
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(8aR)-4,8a-dimethyl-1,3,7,8-tetrahydrocyclohepta[c]furan
SMILESCC1=C2COC[C@]2(C)CCC=C1
InChIInChI=1S/C11H16O/c1-9-5-3-4-6-11(2)8-12-7-10(9)11/h3,5H,4,6-8H2,1-2H3/t11-/m0/s1
InChIKeyFQNYBZTWONTUNU-NSHDSACASA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8aR)-4,8a-dimethyl-1,3,7,8-tetrahydrocyclohepta[c]furan?
The IUPAC name of (8aR)-4,8a-dimethyl-1,3,7,8-tetrahydrocyclohepta[c]furan (CID 135054971) is (8aR)-4,8a-dimethyl-1,3,7,8-tetrahydrocyclohepta[c]furan.
What is the SMILES notation for (8aR)-4,8a-dimethyl-1,3,7,8-tetrahydrocyclohepta[c]furan?
The canonical SMILES for (8aR)-4,8a-dimethyl-1,3,7,8-tetrahydrocyclohepta[c]furan is CC1=C2COC[C@]2(C)CCC=C1.
What is the InChIKey of (8aR)-4,8a-dimethyl-1,3,7,8-tetrahydrocyclohepta[c]furan?
The InChIKey is FQNYBZTWONTUNU-NSHDSACASA-N. The full InChI is InChI=1S/C11H16O/c1-9-5-3-4-6-11(2)8-12-7-10(9)11/h3,5H,4,6-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (8aR)-4,8a-dimethyl-1,3,7,8-tetrahydrocyclohepta[c]furan?
(8aR)-4,8a-dimethyl-1,3,7,8-tetrahydrocyclohepta[c]furan has a molecular weight of 164.25 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-4,8a-dimethyl-1,3,7,8-tetrahydrocyclohepta[c]furan is sourced from PubChem (CID 135054971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).