2-(2-methoxyethyl)-6,6-dimethyl-3-propan-2-ylbicyclo[3.1.1]heptane

C15H28O — CID 176760484

IUPAC2-(2-methoxyethyl)-6,6-dimethyl-3-propan-2-ylbicyclo[3.1.1]heptane
SMILESCOCCC1C(C(C)C)CC2CC1C2(C)C
InChIInChI=1S/C15H28O/c1-10(2)13-8-11-9-14(15(11,3)4)12(13)6-7-16-5/h10-14H,6-9H2,1-5H3
InChIKeyJHDRQYKOKPNLDM-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.98
Rot. Bonds4

About 2-(2-methoxyethyl)-6,6-dimethyl-3-propan-2-ylbicyclo[3.1.1]heptane

2-(2-methoxyethyl)-6,6-dimethyl-3-propan-2-ylbicyclo[3.1.1]heptane (PubChem CID 176760484) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-6,6-dimethyl-3-propan-2-ylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Name2-(2-methoxyethyl)-6,6-dimethyl-3-propan-2-ylbicyclo[3.1.1]heptane
PubChem CID176760484
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-(2-methoxyethyl)-6,6-dimethyl-3-propan-2-ylbicyclo[3.1.1]heptane
SMILESCOCCC1C(C(C)C)CC2CC1C2(C)C
InChIInChI=1S/C15H28O/c1-10(2)13-8-11-9-14(15(11,3)4)12(13)6-7-16-5/h10-14H,6-9H2,1-5H3
InChIKeyJHDRQYKOKPNLDM-UHFFFAOYSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6,6-trimethyl-3-propan-2-ylbicyclo[3.1.1]heptane
CID 59658228
(1R,2S,5R)-2,6,6-trimethyl-3-propan-2-ylbicyclo[3.1.1]heptane
CID 140665995
(1S,2R,5S)-6,6-dimethyl-2-propan-2-ylbicyclo[3.1.1]heptane;sulfane
CID 157194003
9-[(1S,2S,3R,5S)-6,6-dimethyl-2-(2-methylpropyl)-3-bicyclo[3.1.1]heptanyl]-9-borabicyclo[3.3.1]nonane
CID 102070288
(1S,2R,3R,5S)-6,6-dimethyl-2,3-di(propan-2-yl)bicyclo[3.1.1]heptane;(1S,2S,3S,4R)-2,3-di(propan-2-yl)bicyclo[2.2.1]heptane;ethane;propane;yttrium
CID 161036443
(1S,2S,3S,5R)-3-fluoro-6,6-dimethyl-2-(4-methylpentyl)bicyclo[3.1.1]heptane
CID 154714379
(E,1S,3R,5S)-N-methoxy-3-(2-methoxyethyl)-6,6-dimethylbicyclo[3.1.1]heptan-2-imine
CID 24751194
(2R)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]bicyclo[3.1.1]heptan-3-ol
CID 70512661
[(1S)-1-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]ethyl]azanium chloride
CID 127037274
ethane;3,6,6-trimethyl-2-propan-2-ylbicyclo[3.1.1]heptane
CID 163598600
[(2R,3S)-6,6-dimethyl-2-[2-(oxan-2-yloxy)ethyl]-3-bicyclo[3.1.1]heptanyl] methanesulfonate
CID 54338804
[(1S,2R,3R,5S)-3,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]methanol
CID 58892133

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-6,6-dimethyl-3-propan-2-ylbicyclo[3.1.1]heptane?
The IUPAC name of 2-(2-methoxyethyl)-6,6-dimethyl-3-propan-2-ylbicyclo[3.1.1]heptane (CID 176760484) is 2-(2-methoxyethyl)-6,6-dimethyl-3-propan-2-ylbicyclo[3.1.1]heptane.
What is the SMILES notation for 2-(2-methoxyethyl)-6,6-dimethyl-3-propan-2-ylbicyclo[3.1.1]heptane?
The canonical SMILES for 2-(2-methoxyethyl)-6,6-dimethyl-3-propan-2-ylbicyclo[3.1.1]heptane is COCCC1C(C(C)C)CC2CC1C2(C)C.
What is the InChIKey of 2-(2-methoxyethyl)-6,6-dimethyl-3-propan-2-ylbicyclo[3.1.1]heptane?
The InChIKey is JHDRQYKOKPNLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-10(2)13-8-11-9-14(15(11,3)4)12(13)6-7-16-5/h10-14H,6-9H2,1-5H3.
What are the key properties of 2-(2-methoxyethyl)-6,6-dimethyl-3-propan-2-ylbicyclo[3.1.1]heptane?
2-(2-methoxyethyl)-6,6-dimethyl-3-propan-2-ylbicyclo[3.1.1]heptane has a molecular weight of 224.39 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-6,6-dimethyl-3-propan-2-ylbicyclo[3.1.1]heptane is sourced from PubChem (CID 176760484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).