(3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan

C8H12O — CID 147973275

IUPAC(3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESC=C1C[C@@H]2CCC[C@H]2O1
InChIInChI=1S/C8H12O/c1-6-5-7-3-2-4-8(7)9-6/h7-8H,1-5H2/t7-,8+/m0/s1
InChIKeyIRTUAQQHNCOIHI-JGVFFNPUSA-N
MW124.18 g/mol
LogP2.09
Rot. Bonds

About (3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan

(3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan (PubChem CID 147973275) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name(3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
PubChem CID147973275
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan
SMILESC=C1C[C@@H]2CCC[C@H]2O1
InChIInChI=1S/C8H12O/c1-6-5-7-3-2-4-8(7)9-6/h7-8H,1-5H2/t7-,8+/m0/s1
InChIKeyIRTUAQQHNCOIHI-JGVFFNPUSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The IUPAC name of (3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan (CID 147973275) is (3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan.
What is the SMILES notation for (3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The canonical SMILES for (3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan is C=C1C[C@@H]2CCC[C@H]2O1.
What is the InChIKey of (3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
The InChIKey is IRTUAQQHNCOIHI-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H12O/c1-6-5-7-3-2-4-8(7)9-6/h7-8H,1-5H2/t7-,8+/m0/s1.
What are the key properties of (3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan?
(3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan has a molecular weight of 124.18 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-2-methylidene-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 147973275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).