2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane

C15H28 — CID 91611699

IUPAC2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane
SMILESCC(C)CCCC(C)C1CC2CCC1C2
InChIInChI=1S/C15H28/c1-11(2)5-4-6-12(3)15-10-13-7-8-14(15)9-13/h11-15H,4-10H2,1-3H3
InChIKeyGILOHIMQLUSTQE-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.89
Rot. Bonds5

About 2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane

2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane (PubChem CID 91611699) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane
PubChem CID91611699
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane
SMILESCC(C)CCCC(C)C1CC2CCC1C2
InChIInChI=1S/C15H28/c1-11(2)5-4-6-12(3)15-10-13-7-8-14(15)9-13/h11-15H,4-10H2,1-3H3
InChIKeyGILOHIMQLUSTQE-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
(3aR,5aR)-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,4,5,5a,6,8,9,9a,9b,10,11,11a-hexadecahydroindeno[5,4-f]isochromene
CID 130370629
2-(2-deuteriopropan-2-yl)bicyclo[2.2.1]heptane
CID 59907316
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 134975675
(1R)-1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 130127391
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-methylpropan-1-amine
CID 124526543
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methylbutyl)oxamide
CID 108532529
1-(2-bicyclo[2.2.1]heptanyl)-4-methoxybutan-1-ol
CID 114855056
1-(2-bicyclo[2.2.1]heptanyl)-3-cyclopentyl-N-methylpropan-1-amine
CID 114192236
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396
5-(2-bicyclo[2.2.1]heptanyl)-2-methylhex-2-enoic acid
CID 67969456
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxypropan-1-amine
CID 65176203

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane (CID 91611699) is 2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane is CC(C)CCCC(C)C1CC2CCC1C2.
What is the InChIKey of 2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane?
The InChIKey is GILOHIMQLUSTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-11(2)5-4-6-12(3)15-10-13-7-8-14(15)9-13/h11-15H,4-10H2,1-3H3.
What are the key properties of 2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane?
2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane has a molecular weight of 208.39 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylheptan-2-yl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 91611699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).