8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane

C19H26O2 — CID 71174950

IUPAC8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane
SMILESCC(COc1ccccc1)OC1CC2CC1C1CCCC21
InChIInChI=1S/C19H26O2/c1-13(12-20-15-6-3-2-4-7-15)21-19-11-14-10-18(19)17-9-5-8-16(14)17/h2-4,6-7,13-14,16-19H,5,8-12H2,1H3
InChIKeyGMJXJWZFSBRXHN-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.30
Rot. Bonds5

About 8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane

8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane (PubChem CID 71174950) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane
PubChem CID71174950
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane
SMILESCC(COc1ccccc1)OC1CC2CC1C1CCCC21
InChIInChI=1S/C19H26O2/c1-13(12-20-15-6-3-2-4-7-15)21-19-11-14-10-18(19)17-9-5-8-16(14)17/h2-4,6-7,13-14,16-19H,5,8-12H2,1H3
InChIKeyGMJXJWZFSBRXHN-UHFFFAOYSA-N
XLogP4.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(8S)-8-propan-2-yloxytricyclo[5.2.1.02,6]decane
CID 144560976
8-tricyclo[5.2.1.02,6]decanyl benzoate
CID 4024084
2-[[(1R,2S,6R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]oxycarbonyl]benzoic acid
CID 98113367
ethane;methane;tris(2-(phenoxymethyl)oxirane);bis(tricyclo[5.2.1.02,6]decane)
CID 162107477
2-[[(1R,2R,6R,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxycarbonyl]benzoic acid
CID 138958202
ethane;methane;tris(2-(phenoxymethyl)oxirane);bis(tricyclo[5.2.1.02,6]decane)
CID 158300388
2-(2-cyclohexylethoxy)propoxybenzene
CID 71174964
2-[[(1S,2R,6R,7S,8S)-8-tricyclo[5.2.1.02,6]decanyl]oxy]phenol
CID 125499572
ethane;propane;bis(prop-2-enoxybenzene);bis(tricyclo[5.2.1.02,6]decane)
CID 158522411
8-(3,4,4-trimethylpent-1-en-2-yloxy)tricyclo[5.2.1.02,6]decane
CID 123684704
1,2-dimethyl-5-[2-methyl-1-(8-tricyclo[5.2.1.02,6]decanyloxy)propoxy]-1,2-dihydroacenaphthylene
CID 89476064
2-(2-phenoxyethoxy)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]acetamide
CID 124786369

Frequently Asked Questions

What is the IUPAC name of 8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane?
The IUPAC name of 8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane (CID 71174950) is 8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane.
What is the SMILES notation for 8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane?
The canonical SMILES for 8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane is CC(COc1ccccc1)OC1CC2CC1C1CCCC21.
What is the InChIKey of 8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane?
The InChIKey is GMJXJWZFSBRXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-13(12-20-15-6-3-2-4-7-15)21-19-11-14-10-18(19)17-9-5-8-16(14)17/h2-4,6-7,13-14,16-19H,5,8-12H2,1H3.
What are the key properties of 8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane?
8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane has a molecular weight of 286.41 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-phenoxypropan-2-yloxy)tricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 71174950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).