6-methyltricyclo[2.2.1.01,3]heptane

C8H12 — CID 123381875

IUPAC6-methyltricyclo[2.2.1.01,3]heptane
SMILESCC1CC2CC13CC23
InChIInChI=1S/C8H12/c1-5-2-6-3-8(5)4-7(6)8/h5-7H,2-4H2,1H3
InChIKeyCKHOITOVCXPYKL-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.05
Rot. Bonds

About 6-methyltricyclo[2.2.1.01,3]heptane

6-methyltricyclo[2.2.1.01,3]heptane (PubChem CID 123381875) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 6-methyltricyclo[2.2.1.01,3]heptane.

Molecular Properties

Compound Name6-methyltricyclo[2.2.1.01,3]heptane
PubChem CID123381875
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name6-methyltricyclo[2.2.1.01,3]heptane
SMILESCC1CC2CC13CC23
InChIInChI=1S/C8H12/c1-5-2-6-3-8(5)4-7(6)8/h5-7H,2-4H2,1H3
InChIKeyCKHOITOVCXPYKL-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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9-methylhexacyclo[6.4.1.13,6.01,11.02,7.08,10]tetradecane
CID 91101429
3,3a,5,5-tetramethyl-2,3,3b,4,6,6a,7,7a-octahydro-1H-cyclopenta[a]pentalene
CID 139255459
6,8-dimethylspiro[2.5]octan-2-amine
CID 64755024
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
4-cyclobutyl-1,1,2-trimethylcyclopentane
CID 148918740
2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane]
CID 123849579
(2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
CID 162269699
1,2,3,6-tetramethylbicyclo[2.2.0]hexane
CID 123570801
2-methylcyclopropane-1,1-diol
CID 68932442
1-(2-acetyl-3,5,9,11-tetramethylspiro[5.5]undecan-8-yl)ethanone
CID 163551388

Frequently Asked Questions

What is the IUPAC name of 6-methyltricyclo[2.2.1.01,3]heptane?
The IUPAC name of 6-methyltricyclo[2.2.1.01,3]heptane (CID 123381875) is 6-methyltricyclo[2.2.1.01,3]heptane.
What is the SMILES notation for 6-methyltricyclo[2.2.1.01,3]heptane?
The canonical SMILES for 6-methyltricyclo[2.2.1.01,3]heptane is CC1CC2CC13CC23.
What is the InChIKey of 6-methyltricyclo[2.2.1.01,3]heptane?
The InChIKey is CKHOITOVCXPYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-5-2-6-3-8(5)4-7(6)8/h5-7H,2-4H2,1H3.
What are the key properties of 6-methyltricyclo[2.2.1.01,3]heptane?
6-methyltricyclo[2.2.1.01,3]heptane has a molecular weight of 108.18 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyltricyclo[2.2.1.01,3]heptane is sourced from PubChem (CID 123381875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).