(1R,4S,5R,8S,10R,12R,13R)-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol

C15H22O4 — CID 11076378

IUPAC(1R,4S,5R,8S,10R,12R,13R)-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol
SMILESC=C1[C@H](O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3
InChIInChI=1S/C15H22O4/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-15/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10+,11+,12-,13-,14+,15-/m1/s1
InChIKeyFCANIPDOMAOPPM-FRMADOKQSA-N
MW266.34 g/mol
LogP2.18
Rot. Bonds

About (1R,4S,5R,8S,10R,12R,13R)-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol

(1R,4S,5R,8S,10R,12R,13R)-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol (PubChem CID 11076378) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is (1R,4S,5R,8S,10R,12R,13R)-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol.

Molecular Properties

Compound Name(1R,4S,5R,8S,10R,12R,13R)-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol
PubChem CID11076378
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name(1R,4S,5R,8S,10R,12R,13R)-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol
SMILESC=C1[C@H](O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3
InChIInChI=1S/C15H22O4/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-15/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10+,11+,12-,13-,14+,15-/m1/s1
InChIKeyFCANIPDOMAOPPM-FRMADOKQSA-N
XLogP2.18
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,4S,5R,8S,10R,12R,13R)-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,8S,10R,12R,13R)-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol?
The IUPAC name of (1R,4S,5R,8S,10R,12R,13R)-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol (CID 11076378) is (1R,4S,5R,8S,10R,12R,13R)-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol.
What is the SMILES notation for (1R,4S,5R,8S,10R,12R,13R)-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol?
The canonical SMILES for (1R,4S,5R,8S,10R,12R,13R)-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol is C=C1[C@H](O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24O3.
What is the InChIKey of (1R,4S,5R,8S,10R,12R,13R)-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol?
The InChIKey is FCANIPDOMAOPPM-FRMADOKQSA-N. The full InChI is InChI=1S/C15H22O4/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-15/h8,10-13,16H,2,4-7H2,1,3H3/t8-,10+,11+,12-,13-,14+,15-/m1/s1.
What are the key properties of (1R,4S,5R,8S,10R,12R,13R)-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol?
(1R,4S,5R,8S,10R,12R,13R)-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol has a molecular weight of 266.34 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R,8S,10R,12R,13R)-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-ol is sourced from PubChem (CID 11076378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).