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

C21H34O3 — CID 24950832

IUPAC(6E,10S,11S,14E,15aS)-10-methoxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol
SMILESCO[C@@]1(C)CC/C=C(\C)CCC2=C(C)CO[C@H]2/C=C(\C)CC[C@@H]1O
InChIInChI=1S/C21H34O3/c1-15-7-6-12-21(4,23-5)20(22)11-9-16(2)13-19-18(10-8-15)17(3)14-24-19/h7,13,19-20,22H,6,8-12,14H2,1-5H3/b15-7+,16-13+/t19-,20-,21-/m0/s1
InChIKeyLRMBVPPNMSRMSA-HJJBTCMOSA-N
MW334.50 g/mol
LogP4.71
Rot. Bonds1

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

(6E,10S,11S,14E,15aS)-10-methoxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol (PubChem CID 24950832) has the molecular formula C21H34O3 and a molecular weight of 334.50 g/mol. Its IUPAC name is (6E,10S,11S,14E,15aS)-10-methoxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol.

Molecular Properties

Compound Name(6E,10S,11S,14E,15aS)-10-methoxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol
PubChem CID24950832
Molecular FormulaC21H34O3
Molecular Weight334.50 g/mol
Exact Mass334.25
IUPAC Name(6E,10S,11S,14E,15aS)-10-methoxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol
SMILESCO[C@@]1(C)CC/C=C(\C)CCC2=C(C)CO[C@H]2/C=C(\C)CC[C@@H]1O
InChIInChI=1S/C21H34O3/c1-15-7-6-12-21(4,23-5)20(22)11-9-16(2)13-19-18(10-8-15)17(3)14-24-19/h7,13,19-20,22H,6,8-12,14H2,1-5H3/b15-7+,16-13+/t19-,20-,21-/m0/s1
InChIKeyLRMBVPPNMSRMSA-HJJBTCMOSA-N
XLogP4.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6E,10S,11S,14E,15aS)-10-methoxy-3,6,10,14-tetramethyl-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,10S,11S,14E,15aS)-10-methoxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol?
The IUPAC name of (6E,10S,11S,14E,15aS)-10-methoxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol (CID 24950832) is (6E,10S,11S,14E,15aS)-10-methoxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol.
What is the SMILES notation for (6E,10S,11S,14E,15aS)-10-methoxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol?
The canonical SMILES for (6E,10S,11S,14E,15aS)-10-methoxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol is CO[C@@]1(C)CC/C=C(\C)CCC2=C(C)CO[C@H]2/C=C(\C)CC[C@@H]1O.
What is the InChIKey of (6E,10S,11S,14E,15aS)-10-methoxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol?
The InChIKey is LRMBVPPNMSRMSA-HJJBTCMOSA-N. The full InChI is InChI=1S/C21H34O3/c1-15-7-6-12-21(4,23-5)20(22)11-9-16(2)13-19-18(10-8-15)17(3)14-24-19/h7,13,19-20,22H,6,8-12,14H2,1-5H3/b15-7+,16-13+/t19-,20-,21-/m0/s1.
What are the key properties of (6E,10S,11S,14E,15aS)-10-methoxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol?
(6E,10S,11S,14E,15aS)-10-methoxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol has a molecular weight of 334.50 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10S,11S,14E,15aS)-10-methoxy-3,6,10,14-tetramethyl-4,5,8,9,11,12,13,15a-octahydro-2H-cyclotetradeca[b]furan-11-ol is sourced from PubChem (CID 24950832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).