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

C20H30O4 — CID 10806655

IUPAC(6E,10S,11R,14E,15aS)-10,11-dihydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
SMILESCC1=C2CC/C(C)=C/CC[C@](C)(O)[C@H](O)CC/C(C)=C/[C@@H]2OC1=O
InChIInChI=1S/C20H30O4/c1-13-6-5-11-20(4,23)18(21)10-8-14(2)12-17-16(9-7-13)15(3)19(22)24-17/h6,12,17-18,21,23H,5,7-11H2,1-4H3/b13-6+,14-12+/t17-,18+,20-/m0/s1
InChIKeyKISXSEZMRISOQB-STGNWYMPSA-N
MW334.46 g/mol
LogP3.59
Rot. Bonds

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

(6E,10S,11R,14E,15aS)-10,11-dihydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one (PubChem CID 10806655) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is (6E,10S,11R,14E,15aS)-10,11-dihydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one.

Molecular Properties

Compound Name(6E,10S,11R,14E,15aS)-10,11-dihydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
PubChem CID10806655
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name(6E,10S,11R,14E,15aS)-10,11-dihydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one
SMILESCC1=C2CC/C(C)=C/CC[C@](C)(O)[C@H](O)CC/C(C)=C/[C@@H]2OC1=O
InChIInChI=1S/C20H30O4/c1-13-6-5-11-20(4,23)18(21)10-8-14(2)12-17-16(9-7-13)15(3)19(22)24-17/h6,12,17-18,21,23H,5,7-11H2,1-4H3/b13-6+,14-12+/t17-,18+,20-/m0/s1
InChIKeyKISXSEZMRISOQB-STGNWYMPSA-N
XLogP3.59
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (6E,10S,11R,14E,15aS)-10,11-dihydroxy-3,6,10,14-tetramethyl-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,10S,11R,14E,15aS)-10,11-dihydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one?
The IUPAC name of (6E,10S,11R,14E,15aS)-10,11-dihydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one (CID 10806655) is (6E,10S,11R,14E,15aS)-10,11-dihydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one.
What is the SMILES notation for (6E,10S,11R,14E,15aS)-10,11-dihydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one?
The canonical SMILES for (6E,10S,11R,14E,15aS)-10,11-dihydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one is CC1=C2CC/C(C)=C/CC[C@](C)(O)[C@H](O)CC/C(C)=C/[C@@H]2OC1=O.
What is the InChIKey of (6E,10S,11R,14E,15aS)-10,11-dihydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one?
The InChIKey is KISXSEZMRISOQB-STGNWYMPSA-N. The full InChI is InChI=1S/C20H30O4/c1-13-6-5-11-20(4,23)18(21)10-8-14(2)12-17-16(9-7-13)15(3)19(22)24-17/h6,12,17-18,21,23H,5,7-11H2,1-4H3/b13-6+,14-12+/t17-,18+,20-/m0/s1.
What are the key properties of (6E,10S,11R,14E,15aS)-10,11-dihydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one?
(6E,10S,11R,14E,15aS)-10,11-dihydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one has a molecular weight of 334.46 g/mol, XLogP of 3.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10S,11R,14E,15aS)-10,11-dihydroxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydrocyclotetradeca[b]furan-2-one is sourced from PubChem (CID 10806655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).