(5E,9E,11aR)-3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one

C15H20O2 — CID 162995228

IUPAC(5E,9E,11aR)-3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one
SMILESCC1=C2C/C=C(\C)CC/C=C(\C)C[C@H]2OC1=O
InChIInChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h6-7,14H,4-5,8-9H2,1-3H3/b10-7+,11-6+/t14-/m1/s1
InChIKeySLGKCOCDZZQQLY-SKJLMIICSA-N
MW232.32 g/mol
LogP3.69
Rot. Bonds

About (5E,9E,11aR)-3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one

(5E,9E,11aR)-3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one (PubChem CID 162995228) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (5E,9E,11aR)-3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one.

Molecular Properties

Compound Name(5E,9E,11aR)-3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one
PubChem CID162995228
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(5E,9E,11aR)-3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one
SMILESCC1=C2C/C=C(\C)CC/C=C(\C)C[C@H]2OC1=O
InChIInChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h6-7,14H,4-5,8-9H2,1-3H3/b10-7+,11-6+/t14-/m1/s1
InChIKeySLGKCOCDZZQQLY-SKJLMIICSA-N
XLogP3.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.69
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 (5E,9E,11aR)-3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one?
The IUPAC name of (5E,9E,11aR)-3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one (CID 162995228) is (5E,9E,11aR)-3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one.
What is the SMILES notation for (5E,9E,11aR)-3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one?
The canonical SMILES for (5E,9E,11aR)-3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one is CC1=C2C/C=C(\C)CC/C=C(\C)C[C@H]2OC1=O.
What is the InChIKey of (5E,9E,11aR)-3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one?
The InChIKey is SLGKCOCDZZQQLY-SKJLMIICSA-N. The full InChI is InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h6-7,14H,4-5,8-9H2,1-3H3/b10-7+,11-6+/t14-/m1/s1.
What are the key properties of (5E,9E,11aR)-3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one?
(5E,9E,11aR)-3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one has a molecular weight of 232.32 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,9E,11aR)-3,6,10-trimethyl-7,8,11,11a-tetrahydro-4H-cyclodeca[b]furan-2-one is sourced from PubChem (CID 162995228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).