2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane

C15H26O2 — CID 130985864

IUPAC2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane
SMILESCC(C)C1CC2C(C)CC1CC2C1OCCO1
InChIInChI=1S/C15H26O2/c1-9(2)12-8-13-10(3)6-11(12)7-14(13)15-16-4-5-17-15/h9-15H,4-8H2,1-3H3
InChIKeyKEOJDURBVHXRPM-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.31
Rot. Bonds2

About 2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane

2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane (PubChem CID 130985864) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane
PubChem CID130985864
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane
SMILESCC(C)C1CC2C(C)CC1CC2C1OCCO1
InChIInChI=1S/C15H26O2/c1-9(2)12-8-13-10(3)6-11(12)7-14(13)15-16-4-5-17-15/h9-15H,4-8H2,1-3H3
InChIKeyKEOJDURBVHXRPM-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,3-dioxolan-2-yl)-4-methyl-7-oxabicyclo[4.1.0]heptane
CID 54041239
azane;1-methyl-2-propan-2-ylcyclopropane
CID 21258764
ethane;1-methyl-2-propan-2-ylcyclopropane
CID 143332059
(1S,4S)-2,5-di(propan-2-yl)bicyclo[2.2.1]heptane
CID 153291297
1,2,6-trimethyl-5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 145198680
2-[(1R,2S,8R)-6-methyl-8-propan-2-yl-2-bicyclo[2.2.2]oct-5-enyl]-1,3-dioxolane
CID 175940462
cis-(1S,2R)-1,2-dimethylcyclopropane;ethane;methane;trans-(1S,2R)-1-methyl-2-propan-2-ylcyclopropane
CID 158862378
(3R,3aR,7aR)-3-propan-2-yl-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 129384273
(1R,6R,7S,11S)-6-propan-2-yl-2,10-dioxatricyclo[5.3.1.04,11]undecane
CID 168806691
10-methyl-12-propan-2-yltricyclo[7.3.1.03,7]tridecane
CID 158433586
2,4-dimethyl-1-(2-propan-2-ylcyclopropyl)cyclohexane
CID 123402643
(4S)-10-propan-2-yl-3,5-dioxatricyclo[5.2.1.04,8]decane
CID 168806834

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane?
The IUPAC name of 2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane (CID 130985864) is 2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane.
What is the SMILES notation for 2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane?
The canonical SMILES for 2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane is CC(C)C1CC2C(C)CC1CC2C1OCCO1.
What is the InChIKey of 2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane?
The InChIKey is KEOJDURBVHXRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-9(2)12-8-13-10(3)6-11(12)7-14(13)15-16-4-5-17-15/h9-15H,4-8H2,1-3H3.
What are the key properties of 2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane?
2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane has a molecular weight of 238.37 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-5-propan-2-yl-2-bicyclo[2.2.2]octanyl)-1,3-dioxolane is sourced from PubChem (CID 130985864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).