(1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecane

C19H34O — CID 46223220

IUPAC(1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecane
SMILESCC1(C)CCC[C@]2(C)[C@H]3CCCCCO[C@]3(C)CC[C@@H]12
InChIInChI=1S/C19H34O/c1-17(2)11-8-12-18(3)15(17)10-13-19(4)16(18)9-6-5-7-14-20-19/h15-16H,5-14H2,1-4H3/t15-,16+,18-,19+/m0/s1
InChIKeyPRJQCOBGFRAHTD-OGWHTMIXSA-N
MW278.48 g/mol
LogP5.58
Rot. Bonds

About (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecane

(1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecane (PubChem CID 46223220) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecane.

Molecular Properties

Compound Name(1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecane
PubChem CID46223220
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name(1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecane
SMILESCC1(C)CCC[C@]2(C)[C@H]3CCCCCO[C@]3(C)CC[C@@H]12
InChIInChI=1S/C19H34O/c1-17(2)11-8-12-18(3)15(17)10-13-19(4)16(18)9-6-5-7-14-20-19/h15-16H,5-14H2,1-4H3/t15-,16+,18-,19+/m0/s1
InChIKeyPRJQCOBGFRAHTD-OGWHTMIXSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecane with MolForge

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Related Compounds

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(2aR,4aS,8R,8aR,8bS)-2,2,4a,8-tetramethyl-3,4,5,6,7,8,8a,8b-octahydro-2aH-naphtho[1,2-b]oxete
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2-Methoxy-2,6,6,9-tetramethylbicyclo[3.3.1]nonane
CID 44153842
[(1R,2S,7S,10R,14R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecan-14-yl]methyl acetate
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2,6,6,10,14-Pentamethyl-13-oxatetracyclo[8.6.0.02,7.012,14]hexadecane
CID 73018438
(3S,3aS,5aS,8aR,10aR,10bR,10cS)-3,5a,8a-trimethylspiro[2,3,3a,4,5,6,7,8,9,10a,10b,10c-dodecahydro-1H-pyrene-10,2'-oxirane]
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Frequently Asked Questions

What is the IUPAC name of (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecane?
The IUPAC name of (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecane (CID 46223220) is (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecane.
What is the SMILES notation for (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecane?
The canonical SMILES for (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecane is CC1(C)CCC[C@]2(C)[C@H]3CCCCCO[C@]3(C)CC[C@@H]12.
What is the InChIKey of (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecane?
The InChIKey is PRJQCOBGFRAHTD-OGWHTMIXSA-N. The full InChI is InChI=1S/C19H34O/c1-17(2)11-8-12-18(3)15(17)10-13-19(4)16(18)9-6-5-7-14-20-19/h15-16H,5-14H2,1-4H3/t15-,16+,18-,19+/m0/s1.
What are the key properties of (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecane?
(1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecane has a molecular weight of 278.48 g/mol, XLogP of 5.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,7S,10R)-2,6,6,10-tetramethyl-11-oxatricyclo[8.6.0.02,7]hexadecane is sourced from PubChem (CID 46223220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).