2,8-dimethyltetracyclo[4.2.1.13,5.01,7]decane

C12H18 — CID 123813871

IUPAC2,8-dimethyltetracyclo[4.2.1.13,5.01,7]decane
SMILESCC1C2CC(C2)C2CC13C(C)C23
InChIInChI=1S/C12H18/c1-6-8-3-9(4-8)10-5-12(6)7(2)11(10)12/h6-11H,3-5H2,1-2H3
InChIKeyOMTXRSXPVJPIKD-UHFFFAOYSA-N
MW162.28 g/mol
LogP2.93
Rot. Bonds

About 2,8-dimethyltetracyclo[4.2.1.13,5.01,7]decane

2,8-dimethyltetracyclo[4.2.1.13,5.01,7]decane (PubChem CID 123813871) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2,8-dimethyltetracyclo[4.2.1.13,5.01,7]decane.

Molecular Properties

Compound Name2,8-dimethyltetracyclo[4.2.1.13,5.01,7]decane
PubChem CID123813871
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2,8-dimethyltetracyclo[4.2.1.13,5.01,7]decane
SMILESCC1C2CC(C2)C2CC13C(C)C23
InChIInChI=1S/C12H18/c1-6-8-3-9(4-8)10-5-12(6)7(2)11(10)12/h6-11H,3-5H2,1-2H3
InChIKeyOMTXRSXPVJPIKD-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methylbicyclo[1.1.1]pentan-1-amine
CID 123370149
9-methylhexacyclo[6.4.1.13,6.01,11.02,7.08,10]tetradecane
CID 91101429
4-methyltetracyclo[3.3.0.01,6.02,7]octane
CID 123988822
11-methyltetracyclo[8.2.0.02,4.06,8]dodecane
CID 123240466
3-ethyl-7-methylpentacyclo[7.5.1.110,14.05,12.05,15]hexadecan-3-amine
CID 135208316
(1R,8S)-tetracyclo[4.3.1.02,4.03,8]decan-6-amine
CID 57338028
7-methyltricyclo[3.3.1.03,9]nonan-7-amine
CID 152844256
9,10,11-trimethylpentacyclo[6.3.1.01,7.02,6.04,10]dodecane
CID 123902270
1-methylcyclopropane-1,2-diamine
CID 15182447
4,9,9-trimethyltricyclo[5.3.1.02,6]undecane
CID 142004416
5-methyltricyclo[5.2.1.03,9]decan-7-ol
CID 89023602
1-(2-tricyclo[3.3.1.03,7]nonanyl)tricyclo[3.3.1.03,7]nonane
CID 90765182

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyltetracyclo[4.2.1.13,5.01,7]decane?
The IUPAC name of 2,8-dimethyltetracyclo[4.2.1.13,5.01,7]decane (CID 123813871) is 2,8-dimethyltetracyclo[4.2.1.13,5.01,7]decane.
What is the SMILES notation for 2,8-dimethyltetracyclo[4.2.1.13,5.01,7]decane?
The canonical SMILES for 2,8-dimethyltetracyclo[4.2.1.13,5.01,7]decane is CC1C2CC(C2)C2CC13C(C)C23.
What is the InChIKey of 2,8-dimethyltetracyclo[4.2.1.13,5.01,7]decane?
The InChIKey is OMTXRSXPVJPIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-6-8-3-9(4-8)10-5-12(6)7(2)11(10)12/h6-11H,3-5H2,1-2H3.
What are the key properties of 2,8-dimethyltetracyclo[4.2.1.13,5.01,7]decane?
2,8-dimethyltetracyclo[4.2.1.13,5.01,7]decane has a molecular weight of 162.28 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyltetracyclo[4.2.1.13,5.01,7]decane is sourced from PubChem (CID 123813871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).