(1R,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene

C13H18O — CID 134931522

IUPAC(1R,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene
SMILESCC(C)O[C@@H]1C=C[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C13H18O/c1-8(2)14-12-6-5-11-9-3-4-10(7-9)13(11)12/h3-6,8-13H,7H2,1-2H3/t9-,10+,11-,12+,13+/m0/s1
InChIKeyIPVOCDOLIUAUGQ-OBPIAQAESA-N
MW190.29 g/mol
LogP2.79
Rot. Bonds2

About (1R,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene

(1R,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene (PubChem CID 134931522) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is (1R,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene.

Molecular Properties

Compound Name(1R,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene
PubChem CID134931522
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name(1R,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene
SMILESCC(C)O[C@@H]1C=C[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C13H18O/c1-8(2)14-12-6-5-11-9-3-4-10(7-9)13(11)12/h3-6,8-13H,7H2,1-2H3/t9-,10+,11-,12+,13+/m0/s1
InChIKeyIPVOCDOLIUAUGQ-OBPIAQAESA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene?
The IUPAC name of (1R,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene (CID 134931522) is (1R,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene.
What is the SMILES notation for (1R,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene?
The canonical SMILES for (1R,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene is CC(C)O[C@@H]1C=C[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of (1R,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene?
The InChIKey is IPVOCDOLIUAUGQ-OBPIAQAESA-N. The full InChI is InChI=1S/C13H18O/c1-8(2)14-12-6-5-11-9-3-4-10(7-9)13(11)12/h3-6,8-13H,7H2,1-2H3/t9-,10+,11-,12+,13+/m0/s1.
What are the key properties of (1R,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene?
(1R,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene has a molecular weight of 190.29 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R,6R,7S)-5-propan-2-yloxytricyclo[5.2.1.02,6]deca-3,8-diene is sourced from PubChem (CID 134931522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).