(1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane

C12H18O — CID 98477758

IUPAC(1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane
SMILESCC(C)=C1[C@@H]2CC[C@@H]1[C@H]1COC[C@@H]12
InChIInChI=1S/C12H18O/c1-7(2)12-8-3-4-9(12)11-6-13-5-10(8)11/h8-11H,3-6H2,1-2H3/t8-,9-,10-,11-/m1/s1
InChIKeyCPHFPBJPNBJGCY-GWOFURMSSA-N
MW178.27 g/mol
LogP2.63
Rot. Bonds

About (1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane

(1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane (PubChem CID 98477758) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane
PubChem CID98477758
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane
SMILESCC(C)=C1[C@@H]2CC[C@@H]1[C@H]1COC[C@@H]12
InChIInChI=1S/C12H18O/c1-7(2)12-8-3-4-9(12)11-6-13-5-10(8)11/h8-11H,3-6H2,1-2H3/t8-,9-,10-,11-/m1/s1
InChIKeyCPHFPBJPNBJGCY-GWOFURMSSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane with MolForge

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Related Compounds

7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-diol
CID 130144952
(1R,2R,7S)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane-3,5-dione
CID 87491240
(1R,4S)-7-propan-2-ylidene-2,3-dioxabicyclo[2.2.1]heptane
CID 102481953
(1R,2R,3S,4R)-7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 18556441
(1S,2R,3R,4S)-7-propan-2-ylidenebicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 100719829
7-propan-2-ylidenebicyclo[2.2.1]heptane
CID 11073488
(1S,2S,6R,7R)-4-oxatricyclo[5.2.1.02,6]decane
CID 58077971
(1S,2S,6S,7S)-4-oxatricyclo[5.2.1.02,6]decan-10-ol
CID 98095269
(1S,2S,6S,7R)-4-oxatricyclo[5.2.1.02,6]decan-10-ol
CID 97304011
(6R,8S)-11-propan-2-ylidene-7-oxatetracyclo[6.3.1.02,6.04,10]dodecane
CID 102062107
4-methyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 167015237
(1R,3R,5R,7R)-4,8-di(propan-2-ylidene)tricyclo[3.3.0.03,7]octan-2-ol
CID 10081648

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane?
The IUPAC name of (1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane (CID 98477758) is (1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane is CC(C)=C1[C@@H]2CC[C@@H]1[C@H]1COC[C@@H]12.
What is the InChIKey of (1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane?
The InChIKey is CPHFPBJPNBJGCY-GWOFURMSSA-N. The full InChI is InChI=1S/C12H18O/c1-7(2)12-8-3-4-9(12)11-6-13-5-10(8)11/h8-11H,3-6H2,1-2H3/t8-,9-,10-,11-/m1/s1.
What are the key properties of (1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane?
(1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane has a molecular weight of 178.27 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,7R)-10-propan-2-ylidene-4-oxatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 98477758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).