(6E,10R,14Z,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-one

C20H30O2 — CID 102254406

IUPAC(6E,10R,14Z,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-one
SMILESCC1=C2CC/C(C)=C/CC[C@@H](C)C(=O)CC/C(C)=C\[C@@H]2OC1
InChIInChI=1S/C20H30O2/c1-14-6-5-7-16(3)19(21)11-9-15(2)12-20-18(10-8-14)17(4)13-22-20/h6,12,16,20H,5,7-11,13H2,1-4H3/b14-6+,15-12-/t16-,20+/m1/s1
InChIKeyIIOBLRRZWCLQJK-URLLVZJTSA-N
MW302.46 g/mol
LogP5.15
Rot. Bonds

About (6E,10R,14Z,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-one

(6E,10R,14Z,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-one (PubChem CID 102254406) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (6E,10R,14Z,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-one.

Molecular Properties

Compound Name(6E,10R,14Z,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-one
PubChem CID102254406
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(6E,10R,14Z,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-one
SMILESCC1=C2CC/C(C)=C/CC[C@@H](C)C(=O)CC/C(C)=C\[C@@H]2OC1
InChIInChI=1S/C20H30O2/c1-14-6-5-7-16(3)19(21)11-9-15(2)12-20-18(10-8-14)17(4)13-22-20/h6,12,16,20H,5,7-11,13H2,1-4H3/b14-6+,15-12-/t16-,20+/m1/s1
InChIKeyIIOBLRRZWCLQJK-URLLVZJTSA-N
XLogP5.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6E,10R,14Z,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6E,10R,14Z,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-one?
The IUPAC name of (6E,10R,14Z,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-one (CID 102254406) is (6E,10R,14Z,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-one.
What is the SMILES notation for (6E,10R,14Z,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-one?
The canonical SMILES for (6E,10R,14Z,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-one is CC1=C2CC/C(C)=C/CC[C@@H](C)C(=O)CC/C(C)=C\[C@@H]2OC1.
What is the InChIKey of (6E,10R,14Z,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-one?
The InChIKey is IIOBLRRZWCLQJK-URLLVZJTSA-N. The full InChI is InChI=1S/C20H30O2/c1-14-6-5-7-16(3)19(21)11-9-15(2)12-20-18(10-8-14)17(4)13-22-20/h6,12,16,20H,5,7-11,13H2,1-4H3/b14-6+,15-12-/t16-,20+/m1/s1.
What are the key properties of (6E,10R,14Z,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-one?
(6E,10R,14Z,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-one has a molecular weight of 302.46 g/mol, XLogP of 5.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10R,14Z,15aS)-3,6,10,14-tetramethyl-4,5,8,9,10,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-one is sourced from PubChem (CID 102254406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).