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

C20H28O2 — CID 14705435

IUPAC(6E,10E,14E,15aS)-3,6,10,14-tetramethyl-5,8,9,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-2-one
SMILESCC1=C2CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/[C@@H]2OC1=O
InChIInChI=1S/C20H28O2/c1-14-7-5-9-15(2)11-12-18-17(4)20(21)22-19(18)13-16(3)10-6-8-14/h8-9,13,19H,5-7,10-12H2,1-4H3/b14-8+,15-9+,16-13+/t19-/m0/s1
InChIKeyZFHCMDPHJINNOE-DKTDWJLLSA-N
MW300.44 g/mol
LogP5.42
Rot. Bonds

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

(6E,10E,14E,15aS)-3,6,10,14-tetramethyl-5,8,9,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-2-one (PubChem CID 14705435) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is (6E,10E,14E,15aS)-3,6,10,14-tetramethyl-5,8,9,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-2-one.

Molecular Properties

Compound Name(6E,10E,14E,15aS)-3,6,10,14-tetramethyl-5,8,9,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-2-one
PubChem CID14705435
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name(6E,10E,14E,15aS)-3,6,10,14-tetramethyl-5,8,9,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-2-one
SMILESCC1=C2CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/[C@@H]2OC1=O
InChIInChI=1S/C20H28O2/c1-14-7-5-9-15(2)11-12-18-17(4)20(21)22-19(18)13-16(3)10-6-8-14/h8-9,13,19H,5-7,10-12H2,1-4H3/b14-8+,15-9+,16-13+/t19-/m0/s1
InChIKeyZFHCMDPHJINNOE-DKTDWJLLSA-N
XLogP5.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 55.42
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 (6E,10E,14E,15aS)-3,6,10,14-tetramethyl-5,8,9,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-2-one?
The IUPAC name of (6E,10E,14E,15aS)-3,6,10,14-tetramethyl-5,8,9,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-2-one (CID 14705435) is (6E,10E,14E,15aS)-3,6,10,14-tetramethyl-5,8,9,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-2-one.
What is the SMILES notation for (6E,10E,14E,15aS)-3,6,10,14-tetramethyl-5,8,9,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-2-one?
The canonical SMILES for (6E,10E,14E,15aS)-3,6,10,14-tetramethyl-5,8,9,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-2-one is CC1=C2CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/[C@@H]2OC1=O.
What is the InChIKey of (6E,10E,14E,15aS)-3,6,10,14-tetramethyl-5,8,9,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-2-one?
The InChIKey is ZFHCMDPHJINNOE-DKTDWJLLSA-N. The full InChI is InChI=1S/C20H28O2/c1-14-7-5-9-15(2)11-12-18-17(4)20(21)22-19(18)13-16(3)10-6-8-14/h8-9,13,19H,5-7,10-12H2,1-4H3/b14-8+,15-9+,16-13+/t19-/m0/s1.
What are the key properties of (6E,10E,14E,15aS)-3,6,10,14-tetramethyl-5,8,9,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-2-one?
(6E,10E,14E,15aS)-3,6,10,14-tetramethyl-5,8,9,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-2-one has a molecular weight of 300.44 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,15aS)-3,6,10,14-tetramethyl-5,8,9,12,13,15a-hexahydro-4H-cyclotetradeca[b]furan-2-one is sourced from PubChem (CID 14705435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).