6-[(E)-but-2-en-2-yl]-3-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan

C11H18O2 — CID 163802098

IUPAC6-[(E)-but-2-en-2-yl]-3-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
SMILESC/C=C(\C)C1OCC2C(C)OCC12
InChIInChI=1S/C11H18O2/c1-4-7(2)11-10-6-12-8(3)9(10)5-13-11/h4,8-11H,5-6H2,1-3H3/b7-4+
InChIKeyNFWPZQVSVHRRMB-QPJJXVBHSA-N
MW182.26 g/mol
LogP2.00
Rot. Bonds1

About 6-[(E)-but-2-en-2-yl]-3-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan

6-[(E)-but-2-en-2-yl]-3-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan (PubChem CID 163802098) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 6-[(E)-but-2-en-2-yl]-3-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan.

Molecular Properties

Compound Name6-[(E)-but-2-en-2-yl]-3-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
PubChem CID163802098
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name6-[(E)-but-2-en-2-yl]-3-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
SMILESC/C=C(\C)C1OCC2C(C)OCC12
InChIInChI=1S/C11H18O2/c1-4-7(2)11-10-6-12-8(3)9(10)5-13-11/h4,8-11H,5-6H2,1-3H3/b7-4+
InChIKeyNFWPZQVSVHRRMB-QPJJXVBHSA-N
XLogP2.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-but-2-en-2-yl]-3-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan?
The IUPAC name of 6-[(E)-but-2-en-2-yl]-3-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan (CID 163802098) is 6-[(E)-but-2-en-2-yl]-3-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan.
What is the SMILES notation for 6-[(E)-but-2-en-2-yl]-3-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan?
The canonical SMILES for 6-[(E)-but-2-en-2-yl]-3-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan is C/C=C(\C)C1OCC2C(C)OCC12.
What is the InChIKey of 6-[(E)-but-2-en-2-yl]-3-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan?
The InChIKey is NFWPZQVSVHRRMB-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-7(2)11-10-6-12-8(3)9(10)5-13-11/h4,8-11H,5-6H2,1-3H3/b7-4+.
What are the key properties of 6-[(E)-but-2-en-2-yl]-3-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan?
6-[(E)-but-2-en-2-yl]-3-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan has a molecular weight of 182.26 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-2-en-2-yl]-3-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan is sourced from PubChem (CID 163802098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).