1,3-dimethyltricyclo[3.1.0.02,4]hexane

C8H12 — CID 123800109

IUPAC1,3-dimethyltricyclo[3.1.0.02,4]hexane
SMILESCC1C2C3CC3(C)C12
InChIInChI=1S/C8H12/c1-4-6-5-3-8(5,2)7(4)6/h4-7H,3H2,1-2H3
InChIKeyXOGGVTQXXKJXJX-UHFFFAOYSA-N
MW108.18 g/mol
LogP1.91
Rot. Bonds

About 1,3-dimethyltricyclo[3.1.0.02,4]hexane

1,3-dimethyltricyclo[3.1.0.02,4]hexane (PubChem CID 123800109) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 1,3-dimethyltricyclo[3.1.0.02,4]hexane.

Molecular Properties

Compound Name1,3-dimethyltricyclo[3.1.0.02,4]hexane
PubChem CID123800109
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name1,3-dimethyltricyclo[3.1.0.02,4]hexane
SMILESCC1C2C3CC3(C)C12
InChIInChI=1S/C8H12/c1-4-6-5-3-8(5,2)7(4)6/h4-7H,3H2,1-2H3
InChIKeyXOGGVTQXXKJXJX-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 54495644
1,3-dimethyl-2-methylsulfanylbicyclo[2.1.0]pentane
CID 123599082
(1R,2R,4S,5R)-4,5-dimethyltricyclo[4.1.0.02,4]heptane
CID 163487184
2,4,6,8,9,10-hexamethyladamantane
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(2S)-1,1,2-trimethylcyclopropane
CID 25022262
1,5-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 131862247
1,3,5-trimethylcyclohexan-1-amine;hydrochloride
CID 18783158
(1S,2R,4R,5S,6S,7S)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,7]decan-4-ol
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7-methyltricyclo[3.3.1.03,9]nonan-7-amine
CID 152844256
2,3,4,5,7,7-hexamethylbicyclo[4.2.0]octane
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CID 124747898

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyltricyclo[3.1.0.02,4]hexane?
The IUPAC name of 1,3-dimethyltricyclo[3.1.0.02,4]hexane (CID 123800109) is 1,3-dimethyltricyclo[3.1.0.02,4]hexane.
What is the SMILES notation for 1,3-dimethyltricyclo[3.1.0.02,4]hexane?
The canonical SMILES for 1,3-dimethyltricyclo[3.1.0.02,4]hexane is CC1C2C3CC3(C)C12.
What is the InChIKey of 1,3-dimethyltricyclo[3.1.0.02,4]hexane?
The InChIKey is XOGGVTQXXKJXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-4-6-5-3-8(5,2)7(4)6/h4-7H,3H2,1-2H3.
What are the key properties of 1,3-dimethyltricyclo[3.1.0.02,4]hexane?
1,3-dimethyltricyclo[3.1.0.02,4]hexane has a molecular weight of 108.18 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyltricyclo[3.1.0.02,4]hexane is sourced from PubChem (CID 123800109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).