(5Z,7Z,9E)-5-methyl-1,3,3a,4-tetrahydrocycloocta[c]furan

C11H14O — CID 10419499

IUPAC(5Z,7Z,9E)-5-methyl-1,3,3a,4-tetrahydrocycloocta[c]furan
SMILESC/C1=C/C=C\C=C2\COCC2C1
InChIInChI=1S/C11H14O/c1-9-4-2-3-5-10-7-12-8-11(10)6-9/h2-5,11H,6-8H2,1H3/b3-2-,9-4-,10-5-
InChIKeyFMDIHQHAKJMBQW-DEWDPHQHSA-N
MW162.23 g/mol
LogP2.47
Rot. Bonds

About (5Z,7Z,9E)-5-methyl-1,3,3a,4-tetrahydrocycloocta[c]furan

(5Z,7Z,9E)-5-methyl-1,3,3a,4-tetrahydrocycloocta[c]furan (PubChem CID 10419499) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (5Z,7Z,9E)-5-methyl-1,3,3a,4-tetrahydrocycloocta[c]furan.

Molecular Properties

Compound Name(5Z,7Z,9E)-5-methyl-1,3,3a,4-tetrahydrocycloocta[c]furan
PubChem CID10419499
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(5Z,7Z,9E)-5-methyl-1,3,3a,4-tetrahydrocycloocta[c]furan
SMILESC/C1=C/C=C\C=C2\COCC2C1
InChIInChI=1S/C11H14O/c1-9-4-2-3-5-10-7-12-8-11(10)6-9/h2-5,11H,6-8H2,1H3/b3-2-,9-4-,10-5-
InChIKeyFMDIHQHAKJMBQW-DEWDPHQHSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z,9E)-5-methyl-1,3,3a,4-tetrahydrocycloocta[c]furan?
The IUPAC name of (5Z,7Z,9E)-5-methyl-1,3,3a,4-tetrahydrocycloocta[c]furan (CID 10419499) is (5Z,7Z,9E)-5-methyl-1,3,3a,4-tetrahydrocycloocta[c]furan.
What is the SMILES notation for (5Z,7Z,9E)-5-methyl-1,3,3a,4-tetrahydrocycloocta[c]furan?
The canonical SMILES for (5Z,7Z,9E)-5-methyl-1,3,3a,4-tetrahydrocycloocta[c]furan is C/C1=C/C=C\C=C2\COCC2C1.
What is the InChIKey of (5Z,7Z,9E)-5-methyl-1,3,3a,4-tetrahydrocycloocta[c]furan?
The InChIKey is FMDIHQHAKJMBQW-DEWDPHQHSA-N. The full InChI is InChI=1S/C11H14O/c1-9-4-2-3-5-10-7-12-8-11(10)6-9/h2-5,11H,6-8H2,1H3/b3-2-,9-4-,10-5-.
What are the key properties of (5Z,7Z,9E)-5-methyl-1,3,3a,4-tetrahydrocycloocta[c]furan?
(5Z,7Z,9E)-5-methyl-1,3,3a,4-tetrahydrocycloocta[c]furan has a molecular weight of 162.23 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z,9E)-5-methyl-1,3,3a,4-tetrahydrocycloocta[c]furan is sourced from PubChem (CID 10419499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).