(6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one

C20H28O3 — CID 10425917

IUPAC(6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
SMILESC=C1CC/C=C(\C)CCC2=C(C)C(=O)O[C@H]2/C=C(\C)CC[C@H]1O
InChIInChI=1S/C20H28O3/c1-13-6-5-7-15(3)18(21)11-9-14(2)12-19-17(10-8-13)16(4)20(22)23-19/h6,12,18-19,21H,3,5,7-11H2,1-2,4H3/b13-6+,14-12+/t18-,19+/m1/s1
InChIKeySLUDROBUTDEEIP-BWJBCYFCSA-N
MW316.44 g/mol
LogP4.39
Rot. Bonds

About (6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one

(6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one (PubChem CID 10425917) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is (6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one.

Molecular Properties

Compound Name(6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
PubChem CID10425917
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Name(6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
SMILESC=C1CC/C=C(\C)CCC2=C(C)C(=O)O[C@H]2/C=C(\C)CC[C@H]1O
InChIInChI=1S/C20H28O3/c1-13-6-5-7-15(3)18(21)11-9-14(2)12-19-17(10-8-13)16(4)20(22)23-19/h6,12,18-19,21H,3,5,7-11H2,1-2,4H3/b13-6+,14-12+/t18-,19+/m1/s1
InChIKeySLUDROBUTDEEIP-BWJBCYFCSA-N
XLogP4.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one?
The IUPAC name of (6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one (CID 10425917) is (6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one.
What is the SMILES notation for (6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one?
The canonical SMILES for (6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one is C=C1CC/C=C(\C)CCC2=C(C)C(=O)O[C@H]2/C=C(\C)CC[C@H]1O.
What is the InChIKey of (6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one?
The InChIKey is SLUDROBUTDEEIP-BWJBCYFCSA-N. The full InChI is InChI=1S/C20H28O3/c1-13-6-5-7-15(3)18(21)11-9-14(2)12-19-17(10-8-13)16(4)20(22)23-19/h6,12,18-19,21H,3,5,7-11H2,1-2,4H3/b13-6+,14-12+/t18-,19+/m1/s1.
What are the key properties of (6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one?
(6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one has a molecular weight of 316.44 g/mol, XLogP of 4.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,11R,14E,15aS)-11-hydroxy-3,6,14-trimethyl-10-methylidene-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one is sourced from PubChem (CID 10425917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).