(1S,4R,7S,8R,9S,10R)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-en-7-ol

C15H24O2 — CID 170988910

IUPAC(1S,4R,7S,8R,9S,10R)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-en-7-ol
SMILESCC1=C[C@H]2O[C@@H]3[C@H]([C@H]2C(C)C)[C@H]1CC[C@]3(C)O
InChIInChI=1S/C15H24O2/c1-8(2)12-11-7-9(3)10-5-6-15(4,16)14(17-11)13(10)12/h7-8,10-14,16H,5-6H2,1-4H3/t10-,11+,12-,13-,14+,15-/m0/s1
InChIKeySUKUXPYQCJFIJH-HGPDSQILSA-N
MW236.35 g/mol
LogP2.76
Rot. Bonds1

About (1S,4R,7S,8R,9S,10R)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-en-7-ol

(1S,4R,7S,8R,9S,10R)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-en-7-ol (PubChem CID 170988910) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S,4R,7S,8R,9S,10R)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-en-7-ol.

Molecular Properties

Compound Name(1S,4R,7S,8R,9S,10R)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-en-7-ol
PubChem CID170988910
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S,4R,7S,8R,9S,10R)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-en-7-ol
SMILESCC1=C[C@H]2O[C@@H]3[C@H]([C@H]2C(C)C)[C@H]1CC[C@]3(C)O
InChIInChI=1S/C15H24O2/c1-8(2)12-11-7-9(3)10-5-6-15(4,16)14(17-11)13(10)12/h7-8,10-14,16H,5-6H2,1-4H3/t10-,11+,12-,13-,14+,15-/m0/s1
InChIKeySUKUXPYQCJFIJH-HGPDSQILSA-N
XLogP2.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,4R,7S,8R,9S,10R)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-en-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,4R,7S,8R,9S,10R)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-en-7-ol?
The IUPAC name of (1S,4R,7S,8R,9S,10R)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-en-7-ol (CID 170988910) is (1S,4R,7S,8R,9S,10R)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-en-7-ol.
What is the SMILES notation for (1S,4R,7S,8R,9S,10R)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-en-7-ol?
The canonical SMILES for (1S,4R,7S,8R,9S,10R)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-en-7-ol is CC1=C[C@H]2O[C@@H]3[C@H]([C@H]2C(C)C)[C@H]1CC[C@]3(C)O.
What is the InChIKey of (1S,4R,7S,8R,9S,10R)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-en-7-ol?
The InChIKey is SUKUXPYQCJFIJH-HGPDSQILSA-N. The full InChI is InChI=1S/C15H24O2/c1-8(2)12-11-7-9(3)10-5-6-15(4,16)14(17-11)13(10)12/h7-8,10-14,16H,5-6H2,1-4H3/t10-,11+,12-,13-,14+,15-/m0/s1.
What are the key properties of (1S,4R,7S,8R,9S,10R)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-en-7-ol?
(1S,4R,7S,8R,9S,10R)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-en-7-ol has a molecular weight of 236.35 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,7S,8R,9S,10R)-3,7-dimethyl-10-propan-2-yl-11-oxatricyclo[6.2.1.04,9]undec-2-en-7-ol is sourced from PubChem (CID 170988910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).