(4R)-4-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran

C9H14O — CID 90192709

IUPAC(4R)-4-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran
SMILESC[C@@H]1CCCC2OC=CC21
InChIInChI=1S/C9H14O/c1-7-3-2-4-9-8(7)5-6-10-9/h5-9H,2-4H2,1H3/t7-,8?,9?/m1/s1
InChIKeyKEXDUCZBTPLJQR-AFPNSQJFSA-N
MW138.21 g/mol
LogP2.34
Rot. Bonds

About (4R)-4-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran

(4R)-4-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran (PubChem CID 90192709) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is (4R)-4-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran.

Molecular Properties

Compound Name(4R)-4-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran
PubChem CID90192709
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name(4R)-4-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran
SMILESC[C@@H]1CCCC2OC=CC21
InChIInChI=1S/C9H14O/c1-7-3-2-4-9-8(7)5-6-10-9/h5-9H,2-4H2,1H3/t7-,8?,9?/m1/s1
InChIKeyKEXDUCZBTPLJQR-AFPNSQJFSA-N
XLogP2.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran?
The IUPAC name of (4R)-4-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran (CID 90192709) is (4R)-4-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran.
What is the SMILES notation for (4R)-4-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran?
The canonical SMILES for (4R)-4-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran is C[C@@H]1CCCC2OC=CC21.
What is the InChIKey of (4R)-4-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran?
The InChIKey is KEXDUCZBTPLJQR-AFPNSQJFSA-N. The full InChI is InChI=1S/C9H14O/c1-7-3-2-4-9-8(7)5-6-10-9/h5-9H,2-4H2,1H3/t7-,8?,9?/m1/s1.
What are the key properties of (4R)-4-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran?
(4R)-4-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran has a molecular weight of 138.21 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran is sourced from PubChem (CID 90192709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).