(3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan

C11H16O — CID 101190095

IUPAC(3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan
SMILESC/C1=C2\COCC2CC/C=C\C1
InChIInChI=1S/C11H16O/c1-9-5-3-2-4-6-10-7-12-8-11(9)10/h2-3,10H,4-8H2,1H3/b3-2-,11-9-
InChIKeyIPMAUFBRMGQDHC-AZXFPFJESA-N
MW164.25 g/mol
LogP2.69
Rot. Bonds

About (3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan

(3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan (PubChem CID 101190095) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan.

Molecular Properties

Compound Name(3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan
PubChem CID101190095
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan
SMILESC/C1=C2\COCC2CC/C=C\C1
InChIInChI=1S/C11H16O/c1-9-5-3-2-4-6-10-7-12-8-11(9)10/h2-3,10H,4-8H2,1H3/b3-2-,11-9-
InChIKeyIPMAUFBRMGQDHC-AZXFPFJESA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan with MolForge

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Related Compounds

Cyclopentene, 2-(ethoxymethyl)-1-methyl-3-(1-methylethenyl)-
CID 60138535
2-Octene, 2,6-dimethyl-8-(2-propenyloxy)-
CID 11367599
1-Butoxy-3,6-dimethyl-2,7-octadiene
CID 87449611
4-(3-Methylbut-2-enoxymethyl)cyclohexene
CID 132214576
4-(2-Methylprop-2-enoxymethyl)cyclohexene
CID 132214704
4-(But-2-enoxymethyl)cyclohexene
CID 141672466
4,8-dimethyl-3,3a,6,7-tetrahydro-1H-cyclohepta[c]furan
CID 10607117
10-Oxatricyclo-[9.4.0.02,9]-4,7,13-pentadecatriene
CID 12293676
(3aS,6R)-7-ethyl-6-methyl-1,3,3a,6-tetrahydro-2-benzofuran
CID 100935807
(3Z,3aR,7aR)-3-ethylidene-3a,6,7,7a-tetrahydro-1-benzofuran
CID 101068447
(3aE,6Z)-1,3,5,8,9,9a-hexahydrocycloocta[c]furan
CID 101190094
(3aS,4Z,6R,7Z,9E)-6-methyl-8-propyl-1,3,3a,6-tetrahydrocycloocta[c]furan
CID 101190188

Frequently Asked Questions

What is the IUPAC name of (3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan?
The IUPAC name of (3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan (CID 101190095) is (3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan.
What is the SMILES notation for (3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan?
The canonical SMILES for (3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan is C/C1=C2\COCC2CC/C=C\C1.
What is the InChIKey of (3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan?
The InChIKey is IPMAUFBRMGQDHC-AZXFPFJESA-N. The full InChI is InChI=1S/C11H16O/c1-9-5-3-2-4-6-10-7-12-8-11(9)10/h2-3,10H,4-8H2,1H3/b3-2-,11-9-.
What are the key properties of (3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan?
(3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan has a molecular weight of 164.25 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aE,6Z)-4-methyl-1,3,5,8,9,9a-hexahydrocycloocta[c]furan is sourced from PubChem (CID 101190095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).