(2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol

C16H28O3 — CID 70512661

IUPAC(2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol
SMILESCC1(C)C2CC(O)[C@H](CCOC3CCCCO3)C1C2
InChIInChI=1S/C16H28O3/c1-16(2)11-9-13(16)12(14(17)10-11)6-8-19-15-5-3-4-7-18-15/h11-15,17H,3-10H2,1-2H3/t11?,12-,13?,14?,15?/m1/s1
InChIKeyBUQKVVCRDLUQKU-HLTWPCROSA-N
MW268.40 g/mol
LogP2.96
Rot. Bonds4

About (2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol

(2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol (PubChem CID 70512661) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol.

Molecular Properties

Compound Name(2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol
PubChem CID70512661
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name(2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol
SMILESCC1(C)C2CC(O)[C@H](CCOC3CCCCO3)C1C2
InChIInChI=1S/C16H28O3/c1-16(2)11-9-13(16)12(14(17)10-11)6-8-19-15-5-3-4-7-18-15/h11-15,17H,3-10H2,1-2H3/t11?,12-,13?,14?,15?/m1/s1
InChIKeyBUQKVVCRDLUQKU-HLTWPCROSA-N
XLogP2.96
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol with MolForge

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Related Compounds

[(2R,3S)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]-3-bicyclo[3.1.1]heptanyl] methanesulfonate
CID 54338804
N-[(1S,2S,3S,5R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]-3-bicyclo[3.1.1]heptanyl]methanesulfonamide
CID 22876525
(1S,2S,5R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-one
CID 14352708
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
1,3,3-trimethyl-6,7-bis[2-(oxan-2-yloxy)ethoxy]-2-oxabicyclo[2.2.2]octane
CID 67217297
Methylbis{6-[(oxan-2-yl)oxy]hexyl}silane
CID 78062562
5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol
CID 99460007
2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane
CID 85397589
4,4,5,5-tetramethyl-2-[9-(oxan-2-yloxy)nonyl]-1,3,2-dioxaborolane
CID 138111435
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-octacosoxyoxane
CID 11214102
2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923

Frequently Asked Questions

What is the IUPAC name of (2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol?
The IUPAC name of (2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol (CID 70512661) is (2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol.
What is the SMILES notation for (2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol?
The canonical SMILES for (2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol is CC1(C)C2CC(O)[C@H](CCOC3CCCCO3)C1C2.
What is the InChIKey of (2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol?
The InChIKey is BUQKVVCRDLUQKU-HLTWPCROSA-N. The full InChI is InChI=1S/C16H28O3/c1-16(2)11-9-13(16)12(14(17)10-11)6-8-19-15-5-3-4-7-18-15/h11-15,17H,3-10H2,1-2H3/t11?,12-,13?,14?,15?/m1/s1.
What are the key properties of (2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol?
(2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol has a molecular weight of 268.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol is sourced from PubChem (CID 70512661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).