9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane

C13H18 — CID 163588261

IUPAC9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane
SMILESCC12CC13CC2C1C2CCC(C2)C13
InChIInChI=1S/C13H18/c1-12-6-13(12)5-9(12)10-7-2-3-8(4-7)11(10)13/h7-11H,2-6H2,1H3
InChIKeyGNIKZORYMZHYQG-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.08
Rot. Bonds

About 9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane

9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane (PubChem CID 163588261) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane.

Molecular Properties

Compound Name9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane
PubChem CID163588261
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane
SMILESCC12CC13CC2C1C2CCC(C2)C13
InChIInChI=1S/C13H18/c1-12-6-13(12)5-9(12)10-7-2-3-8(4-7)11(10)13/h7-11H,2-6H2,1H3
InChIKeyGNIKZORYMZHYQG-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(11S,14S)-3-methylpentacyclo[7.6.2.04,6.011,17.014,16]heptadecan-3-ol
CID 163869940
(1S,2R,3S,5R,6S,7R)-4,4-dimethyltetracyclo[5.2.1.02,6.03,5]decane
CID 134980447
5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane
CID 143329960
1-methyltetracyclo[6.2.1.13,6.02,7]dodecane
CID 12936587
(1S,2R,3R,8R,9S,10S)-6,6,8-trimethyltetracyclo[8.2.1.02,9.03,8]tridecan-4-one
CID 124935588
(1S,4S,7S,10S)-pentacyclo[8.2.1.14,7.02,9.03,8]tetradecane
CID 124764509
11,11-dimethylpentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 123292612
4-ethyl-4-methyltricyclo[4.2.1.02,5]nonan-3-amine
CID 81496525
9-methylhexacyclo[6.4.1.13,6.01,11.02,7.08,10]tetradecane
CID 91101429
nonadecacyclo[27.23.1.14,44.06,43.09,42.011,40.014,39.016,37.019,36.021,34.024,33.026,31.030,51.032,49.035,48.038,47.041,46.045,50.052,54]tetrapentacontane
CID 101083105
6,6-dimethylheptacyclo[9.6.1.13,9.113,16.02,10.04,8.012,17]icosane
CID 123857656
(1S,2R,3R,6S,7S,8R)-12,12-dimethyl-4,5-diazatetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 13222111

Frequently Asked Questions

What is the IUPAC name of 9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane?
The IUPAC name of 9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane (CID 163588261) is 9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane.
What is the SMILES notation for 9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane?
The canonical SMILES for 9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane is CC12CC13CC2C1C2CCC(C2)C13.
What is the InChIKey of 9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane?
The InChIKey is GNIKZORYMZHYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-12-6-13(12)5-9(12)10-7-2-3-8(4-7)11(10)13/h7-11H,2-6H2,1H3.
What are the key properties of 9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane?
9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane has a molecular weight of 174.29 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 9-methylpentacyclo[6.2.1.13,6.01,9.02,7]dodecane is sourced from PubChem (CID 163588261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).