4-(2-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran

C15H24O — CID 142057992

IUPAC4-(2-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran
SMILESCC1CCCCC1C1CCCC2OC=CC21
InChIInChI=1S/C15H24O/c1-11-5-2-3-6-12(11)13-7-4-8-15-14(13)9-10-16-15/h9-15H,2-8H2,1H3
InChIKeyFPGDVIIDNYZWKQ-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.14
Rot. Bonds1

About 4-(2-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran

4-(2-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran (PubChem CID 142057992) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(2-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran.

Molecular Properties

Compound Name4-(2-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran
PubChem CID142057992
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-(2-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran
SMILESCC1CCCCC1C1CCCC2OC=CC21
InChIInChI=1S/C15H24O/c1-11-5-2-3-6-12(11)13-7-4-8-15-14(13)9-10-16-15/h9-15H,2-8H2,1H3
InChIKeyFPGDVIIDNYZWKQ-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran?
The IUPAC name of 4-(2-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran (CID 142057992) is 4-(2-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran.
What is the SMILES notation for 4-(2-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran?
The canonical SMILES for 4-(2-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran is CC1CCCCC1C1CCCC2OC=CC21.
What is the InChIKey of 4-(2-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran?
The InChIKey is FPGDVIIDNYZWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11-5-2-3-6-12(11)13-7-4-8-15-14(13)9-10-16-15/h9-15H,2-8H2,1H3.
What are the key properties of 4-(2-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran?
4-(2-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran has a molecular weight of 220.36 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylcyclohexyl)-3a,4,5,6,7,7a-hexahydro-1-benzofuran is sourced from PubChem (CID 142057992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).