2,2,7-trimethylbicyclo[2.2.1]heptane

C10H18 — CID 18669850

IUPAC2,2,7-trimethylbicyclo[2.2.1]heptane
SMILESCC1C2CCC1C(C)(C)C2
InChIInChI=1S/C10H18/c1-7-8-4-5-9(7)10(2,3)6-8/h7-9H,4-6H2,1-3H3
InChIKeyAGIBKNCEBZJBLA-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds

About 2,2,7-trimethylbicyclo[2.2.1]heptane

2,2,7-trimethylbicyclo[2.2.1]heptane (PubChem CID 18669850) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2,2,7-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2,7-trimethylbicyclo[2.2.1]heptane
PubChem CID18669850
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2,2,7-trimethylbicyclo[2.2.1]heptane
SMILESCC1C2CCC1C(C)(C)C2
InChIInChI=1S/C10H18/c1-7-8-4-5-9(7)10(2,3)6-8/h7-9H,4-6H2,1-3H3
InChIKeyAGIBKNCEBZJBLA-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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2,2,4,7,7-pentamethylbicyclo[6.2.0]decane
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[(2R,6R,8R)-6,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.2.2.02,7]dodecan-4-yl]methanamine
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(2S)-1,1,2-trimethylcyclopropane
CID 25022262
9,9-dimethyltricyclo[6.2.1.02,7]undecane;ethane
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1-methyltricyclo[4.2.0.03,8]octane
CID 146747804
(1R,2R,5S)-4,4-dimethylbicyclo[3.2.0]heptan-2-ol
CID 130927421
CID 163816630
CID 163816630
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4,4,10-trimethyltricyclo[5.2.1.02,6]decane
CID 142502151

Frequently Asked Questions

What is the IUPAC name of 2,2,7-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of 2,2,7-trimethylbicyclo[2.2.1]heptane (CID 18669850) is 2,2,7-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2,7-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 2,2,7-trimethylbicyclo[2.2.1]heptane is CC1C2CCC1C(C)(C)C2.
What is the InChIKey of 2,2,7-trimethylbicyclo[2.2.1]heptane?
The InChIKey is AGIBKNCEBZJBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-7-8-4-5-9(7)10(2,3)6-8/h7-9H,4-6H2,1-3H3.
What are the key properties of 2,2,7-trimethylbicyclo[2.2.1]heptane?
2,2,7-trimethylbicyclo[2.2.1]heptane has a molecular weight of 138.25 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 18669850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).