(6E,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol

C20H30O2 — CID 23427160

IUPAC(6E,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol
SMILESC=C1CC/C=C(\C)CCC2=C(C)CO[C@H]2/C=C(\C)CC[C@@H]1O
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/h6,12,19-21H,3,5,7-11,13H2,1-2,4H3/b14-6+,15-12+/t19-,20-/m0/s1
InChIKeyVZFJKMILHUWBJL-KCCAZCGWSA-N
MW302.46 g/mol
LogP4.87
Rot. Bonds

About (6E,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol

(6E,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol (PubChem CID 23427160) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (6E,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol.

Molecular Properties

Compound Name(6E,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol
PubChem CID23427160
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(6E,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol
SMILESC=C1CC/C=C(\C)CCC2=C(C)CO[C@H]2/C=C(\C)CC[C@@H]1O
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/h6,12,19-21H,3,5,7-11,13H2,1-2,4H3/b14-6+,15-12+/t19-,20-/m0/s1
InChIKeyVZFJKMILHUWBJL-KCCAZCGWSA-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,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6E,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol?
The IUPAC name of (6E,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol (CID 23427160) is (6E,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol.
What is the SMILES notation for (6E,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol?
The canonical SMILES for (6E,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol is C=C1CC/C=C(\C)CCC2=C(C)CO[C@H]2/C=C(\C)CC[C@@H]1O.
What is the InChIKey of (6E,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol?
The InChIKey is VZFJKMILHUWBJL-KCCAZCGWSA-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/h6,12,19-21H,3,5,7-11,13H2,1-2,4H3/b14-6+,15-12+/t19-,20-/m0/s1.
What are the key properties of (6E,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol?
(6E,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-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,11S,14E,15aS)-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol is sourced from PubChem (CID 23427160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).