(6E,10S,11E,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,13,15a-hexahydro-2H-cyclotetradeca[b]furan-10-ol

C20H30O2 — CID 163111901

IUPAC(6E,10S,11E,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,13,15a-hexahydro-2H-cyclotetradeca[b]furan-10-ol
SMILESCC1=C2CC/C(C)=C/CC[C@](C)(O)/C=C/C/C(C)=C/[C@@H]2OC1
InChIInChI=1S/C20H30O2/c1-15-7-5-11-20(4,21)12-6-8-16(2)13-19-18(10-9-15)17(3)14-22-19/h6-7,12-13,19,21H,5,8-11,14H2,1-4H3/b12-6+,15-7+,16-13+/t19-,20-/m0/s1
InChIKeyOJMUCDXLECGABI-JHAOQSPJSA-N
MW302.46 g/mol
LogP4.87
Rot. Bonds

About (6E,10S,11E,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,13,15a-hexahydro-2H-cyclotetradeca[b]furan-10-ol

(6E,10S,11E,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,13,15a-hexahydro-2H-cyclotetradeca[b]furan-10-ol (PubChem CID 163111901) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (6E,10S,11E,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,13,15a-hexahydro-2H-cyclotetradeca[b]furan-10-ol.

Molecular Properties

Compound Name(6E,10S,11E,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,13,15a-hexahydro-2H-cyclotetradeca[b]furan-10-ol
PubChem CID163111901
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(6E,10S,11E,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,13,15a-hexahydro-2H-cyclotetradeca[b]furan-10-ol
SMILESCC1=C2CC/C(C)=C/CC[C@](C)(O)/C=C/C/C(C)=C/[C@@H]2OC1
InChIInChI=1S/C20H30O2/c1-15-7-5-11-20(4,21)12-6-8-16(2)13-19-18(10-9-15)17(3)14-22-19/h6-7,12-13,19,21H,5,8-11,14H2,1-4H3/b12-6+,15-7+,16-13+/t19-,20-/m0/s1
InChIKeyOJMUCDXLECGABI-JHAOQSPJSA-N
XLogP4.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6E,10S,11E,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,13,15a-hexahydro-2H-cyclotetradeca[b]furan-10-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6E,10S,11E,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,13,15a-hexahydro-2H-cyclotetradeca[b]furan-10-ol?
The IUPAC name of (6E,10S,11E,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,13,15a-hexahydro-2H-cyclotetradeca[b]furan-10-ol (CID 163111901) is (6E,10S,11E,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,13,15a-hexahydro-2H-cyclotetradeca[b]furan-10-ol.
What is the SMILES notation for (6E,10S,11E,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,13,15a-hexahydro-2H-cyclotetradeca[b]furan-10-ol?
The canonical SMILES for (6E,10S,11E,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,13,15a-hexahydro-2H-cyclotetradeca[b]furan-10-ol is CC1=C2CC/C(C)=C/CC[C@](C)(O)/C=C/C/C(C)=C/[C@@H]2OC1.
What is the InChIKey of (6E,10S,11E,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,13,15a-hexahydro-2H-cyclotetradeca[b]furan-10-ol?
The InChIKey is OJMUCDXLECGABI-JHAOQSPJSA-N. The full InChI is InChI=1S/C20H30O2/c1-15-7-5-11-20(4,21)12-6-8-16(2)13-19-18(10-9-15)17(3)14-22-19/h6-7,12-13,19,21H,5,8-11,14H2,1-4H3/b12-6+,15-7+,16-13+/t19-,20-/m0/s1.
What are the key properties of (6E,10S,11E,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,13,15a-hexahydro-2H-cyclotetradeca[b]furan-10-ol?
(6E,10S,11E,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,13,15a-hexahydro-2H-cyclotetradeca[b]furan-10-ol has a molecular weight of 302.46 g/mol, XLogP of 4.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10S,11E,14E,15aS)-3,6,10,14-tetramethyl-4,5,8,9,13,15a-hexahydro-2H-cyclotetradeca[b]furan-10-ol is sourced from PubChem (CID 163111901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).