(6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan

C20H30O — CID 23425614

IUPAC(6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan
SMILESCC1=C2CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C2OC1
InChIInChI=1S/C20H30O/c1-15-7-5-9-16(2)11-12-19-18(4)14-21-20(19)13-17(3)10-6-8-15/h8-9,13,20H,5-7,10-12,14H2,1-4H3/b15-8+,16-9+,17-13+
InChIKeyREIZGKBBDMCFBK-KQZOUPBZSA-N
MW286.46 g/mol
LogP5.89
Rot. Bonds

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

(6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan (PubChem CID 23425614) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is (6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan.

Molecular Properties

Compound Name(6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan
PubChem CID23425614
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name(6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan
SMILESCC1=C2CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C2OC1
InChIInChI=1S/C20H30O/c1-15-7-5-9-16(2)11-12-19-18(4)14-21-20(19)13-17(3)10-6-8-15/h8-9,13,20H,5-7,10-12,14H2,1-4H3/b15-8+,16-9+,17-13+
InChIKeyREIZGKBBDMCFBK-KQZOUPBZSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan?
The IUPAC name of (6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan (CID 23425614) is (6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan.
What is the SMILES notation for (6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan?
The canonical SMILES for (6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan is CC1=C2CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C2OC1.
What is the InChIKey of (6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan?
The InChIKey is REIZGKBBDMCFBK-KQZOUPBZSA-N. The full InChI is InChI=1S/C20H30O/c1-15-7-5-9-16(2)11-12-19-18(4)14-21-20(19)13-17(3)10-6-8-15/h8-9,13,20H,5-7,10-12,14H2,1-4H3/b15-8+,16-9+,17-13+.
What are the key properties of (6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan?
(6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan has a molecular weight of 286.46 g/mol, XLogP of 5.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E)-3,6,10,14-tetramethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan is sourced from PubChem (CID 23425614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).