2-(hexan-2-yloxymethyl)bicyclo[2.2.1]heptane

C14H26O — CID 126552424

IUPAC2-(hexan-2-yloxymethyl)bicyclo[2.2.1]heptane
SMILESCCCCC(C)OCC1CC2CCC1C2
InChIInChI=1S/C14H26O/c1-3-4-5-11(2)15-10-14-9-12-6-7-13(14)8-12/h11-14H,3-10H2,1-2H3
InChIKeyAWRXBYIDKJQYLN-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.02
Rot. Bonds6

About 2-(hexan-2-yloxymethyl)bicyclo[2.2.1]heptane

2-(hexan-2-yloxymethyl)bicyclo[2.2.1]heptane (PubChem CID 126552424) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 2-(hexan-2-yloxymethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(hexan-2-yloxymethyl)bicyclo[2.2.1]heptane
PubChem CID126552424
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name2-(hexan-2-yloxymethyl)bicyclo[2.2.1]heptane
SMILESCCCCC(C)OCC1CC2CCC1C2
InChIInChI=1S/C14H26O/c1-3-4-5-11(2)15-10-14-9-12-6-7-13(14)8-12/h11-14H,3-10H2,1-2H3
InChIKeyAWRXBYIDKJQYLN-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,2S,4S)-2-butylbicyclo[2.2.1]heptane
CID 177495846
1-(2-bicyclo[2.2.1]heptanylmethoxy)ethyl acetate
CID 58944291
N-(2-bicyclo[2.2.1]heptanylmethyl)octan-2-amine
CID 55232030
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
(1S,2S,4R)-2-ethylbicyclo[2.2.1]heptane
CID 124524751
2-bicyclo[2.2.1]heptanylmethyl 6-hydroxy-2-methylhexanoate
CID 122575744
1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine
CID 115831312
1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine
CID 115833241
1-(2-bicyclo[2.2.1]heptanyl)pentan-2-amine
CID 79557968
2-ethylbicyclo[2.2.1]heptane;methane
CID 169189353
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)hexanamide
CID 63684003
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-diethoxy-N-methylpropan-1-amine
CID 63684185

Frequently Asked Questions

What is the IUPAC name of 2-(hexan-2-yloxymethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(hexan-2-yloxymethyl)bicyclo[2.2.1]heptane (CID 126552424) is 2-(hexan-2-yloxymethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(hexan-2-yloxymethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(hexan-2-yloxymethyl)bicyclo[2.2.1]heptane is CCCCC(C)OCC1CC2CCC1C2.
What is the InChIKey of 2-(hexan-2-yloxymethyl)bicyclo[2.2.1]heptane?
The InChIKey is AWRXBYIDKJQYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-3-4-5-11(2)15-10-14-9-12-6-7-13(14)8-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-(hexan-2-yloxymethyl)bicyclo[2.2.1]heptane?
2-(hexan-2-yloxymethyl)bicyclo[2.2.1]heptane has a molecular weight of 210.36 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-2-yloxymethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 126552424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).