6a-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan

C17H30O2 — CID 69011781

IUPAC6a-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
SMILESCC(C)C1(C)CCCC(OC23CCCC2CCO3)C1
InChIInChI=1S/C17H30O2/c1-13(2)16(3)9-5-7-15(12-16)19-17-10-4-6-14(17)8-11-18-17/h13-15H,4-12H2,1-3H3
InChIKeyGFVVWGKNWVABBA-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.52
Rot. Bonds3

About 6a-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan

6a-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan (PubChem CID 69011781) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 6a-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name6a-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
PubChem CID69011781
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name6a-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan
SMILESCC(C)C1(C)CCCC(OC23CCCC2CCO3)C1
InChIInChI=1S/C17H30O2/c1-13(2)16(3)9-5-7-15(12-16)19-17-10-4-6-14(17)8-11-18-17/h13-15H,4-12H2,1-3H3
InChIKeyGFVVWGKNWVABBA-UHFFFAOYSA-N
XLogP4.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6a-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The IUPAC name of 6a-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan (CID 69011781) is 6a-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan.
What is the SMILES notation for 6a-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The canonical SMILES for 6a-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan is CC(C)C1(C)CCCC(OC23CCCC2CCO3)C1.
What is the InChIKey of 6a-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
The InChIKey is GFVVWGKNWVABBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-13(2)16(3)9-5-7-15(12-16)19-17-10-4-6-14(17)8-11-18-17/h13-15H,4-12H2,1-3H3.
What are the key properties of 6a-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan?
6a-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan has a molecular weight of 266.42 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-(3-methyl-3-propan-2-ylcyclohexyl)oxy-2,3,3a,4,5,6-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 69011781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).