3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol

C17H30O2 — CID 59921249

IUPAC3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol
SMILESCC1(C)O[C@]23C[C@H]1CC[C@]2(C)CCC[C@@H]3CCCO
InChIInChI=1S/C17H30O2/c1-15(2)14-8-10-16(3)9-4-6-13(7-5-11-18)17(16,12-14)19-15/h13-14,18H,4-12H2,1-3H3/t13-,14-,16+,17+/m1/s1
InChIKeyDVPAMJKPNIOSKZ-JHNDHUHGSA-N
MW266.42 g/mol
LogP3.91
Rot. Bonds3

About 3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol

3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol (PubChem CID 59921249) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol
PubChem CID59921249
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol
SMILESCC1(C)O[C@]23C[C@H]1CC[C@]2(C)CCC[C@@H]3CCCO
InChIInChI=1S/C17H30O2/c1-15(2)14-8-10-16(3)9-4-6-13(7-5-11-18)17(16,12-14)19-15/h13-14,18H,4-12H2,1-3H3/t13-,14-,16+,17+/m1/s1
InChIKeyDVPAMJKPNIOSKZ-JHNDHUHGSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-ol
CID 70887595
(1S,2S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecane-2-carboxylic acid
CID 5321537
[(1S,2S,6S,9R,10R)-2,6,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-10-yl]methanol
CID 132551470
3-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
CID 114624243
3-(2,2-dimethoxycyclohexyl)propan-1-ol
CID 10352822
3-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]propan-1-ol
CID 15512998
4-[(1R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodec-2-en-2-yl]butan-1-ol
CID 68573273
(1R,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-one
CID 5320214
6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-3-ol
CID 72789838
1-cyclohexyl-2-(3-hydroxypropyl)cyclohexan-1-ol
CID 156755741
3-(3,3-dimethyldioxolan-4-yl)propan-1-ol
CID 87498556
3-[(1R,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]propan-1-ol
CID 95004190

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol?
The IUPAC name of 3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol (CID 59921249) is 3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol.
What is the SMILES notation for 3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol?
The canonical SMILES for 3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol is CC1(C)O[C@]23C[C@H]1CC[C@]2(C)CCC[C@@H]3CCCO.
What is the InChIKey of 3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol?
The InChIKey is DVPAMJKPNIOSKZ-JHNDHUHGSA-N. The full InChI is InChI=1S/C17H30O2/c1-15(2)14-8-10-16(3)9-4-6-13(7-5-11-18)17(16,12-14)19-15/h13-14,18H,4-12H2,1-3H3/t13-,14-,16+,17+/m1/s1.
What are the key properties of 3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol?
3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol has a molecular weight of 266.42 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R,6S,9R)-6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-2-yl]propan-1-ol is sourced from PubChem (CID 59921249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).