(1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol

C16H26O2 — CID 11021319

IUPAC(1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol
SMILESC[C@H]1CC2=C[C@H]3C[C@@H](C[C@@H]1O)[C@@H]2[C@@H]3OC(C)(C)C
InChIInChI=1S/C16H26O2/c1-9-5-10-6-12-7-11(8-13(9)17)14(10)15(12)18-16(2,3)4/h6,9,11-15,17H,5,7-8H2,1-4H3/t9-,11-,12-,13-,14+,15+/m0/s1
InChIKeyOJXIKPFBPBCKRJ-VUJLMQJESA-N
MW250.38 g/mol
LogP3.15
Rot. Bonds1

About (1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol

(1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol (PubChem CID 11021319) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol.

Molecular Properties

Compound Name(1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol
PubChem CID11021319
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol
SMILESC[C@H]1CC2=C[C@H]3C[C@@H](C[C@@H]1O)[C@@H]2[C@@H]3OC(C)(C)C
InChIInChI=1S/C16H26O2/c1-9-5-10-6-12-7-11(8-13(9)17)14(10)15(12)18-16(2,3)4/h6,9,11-15,17H,5,7-8H2,1-4H3/t9-,11-,12-,13-,14+,15+/m0/s1
InChIKeyOJXIKPFBPBCKRJ-VUJLMQJESA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol?
The IUPAC name of (1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol (CID 11021319) is (1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol.
What is the SMILES notation for (1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol?
The canonical SMILES for (1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol is C[C@H]1CC2=C[C@H]3C[C@@H](C[C@@H]1O)[C@@H]2[C@@H]3OC(C)(C)C.
What is the InChIKey of (1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol?
The InChIKey is OJXIKPFBPBCKRJ-VUJLMQJESA-N. The full InChI is InChI=1S/C16H26O2/c1-9-5-10-6-12-7-11(8-13(9)17)14(10)15(12)18-16(2,3)4/h6,9,11-15,17H,5,7-8H2,1-4H3/t9-,11-,12-,13-,14+,15+/m0/s1.
What are the key properties of (1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol?
(1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol has a molecular weight of 250.38 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5S,6S,9S,10R)-6-methyl-10-[(2-methylpropan-2-yl)oxy]tricyclo[6.2.1.03,9]undec-8(11)-en-5-ol is sourced from PubChem (CID 11021319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).