9-methylpentacyclo[4.4.0.01,5.02,9.04,8]decane

C11H14 — CID 123294037

IUPAC9-methylpentacyclo[4.4.0.01,5.02,9.04,8]decane
SMILESCC12CC34C5CC1C(CC23)C54
InChIInChI=1S/C11H14/c1-10-4-11-7-3-6(10)5(9(7)11)2-8(10)11/h5-9H,2-4H2,1H3
InChIKeyWDWXGAXNOZGGKT-UHFFFAOYSA-N
MW146.23 g/mol
LogP2.30
Rot. Bonds

About 9-methylpentacyclo[4.4.0.01,5.02,9.04,8]decane

9-methylpentacyclo[4.4.0.01,5.02,9.04,8]decane (PubChem CID 123294037) has the molecular formula C11H14 and a molecular weight of 146.23 g/mol. Its IUPAC name is 9-methylpentacyclo[4.4.0.01,5.02,9.04,8]decane.

Molecular Properties

Compound Name9-methylpentacyclo[4.4.0.01,5.02,9.04,8]decane
PubChem CID123294037
Molecular FormulaC11H14
Molecular Weight146.23 g/mol
Exact Mass146.11
IUPAC Name9-methylpentacyclo[4.4.0.01,5.02,9.04,8]decane
SMILESCC12CC34C5CC1C(CC23)C54
InChIInChI=1S/C11H14/c1-10-4-11-7-3-6(10)5(9(7)11)2-8(10)11/h5-9H,2-4H2,1H3
InChIKeyWDWXGAXNOZGGKT-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyltricyclo[2.1.0.02,5]pentane
CID 86129037
2-methylbicyclo[1.1.0]butan-2-ol
CID 123776938
(1R,2R,4S,5R)-4,5-dimethyltricyclo[4.1.0.02,4]heptane
CID 163487184
2-ethylspiro[cyclopropane-1,3'-tricyclo[4.1.0.02,4]heptane]
CID 163933579
(1S,3S,5R,7R)-8-bromo-1,4,4-trimethyltricyclo[5.1.0.03,5]octane
CID 134888977
6-methyltetracyclo[4.3.0.02,5.02,8]nonane
CID 123208893
1,2-dimethyl-3-(1,2,2-trimethylcyclopropyl)cyclobutane
CID 123505279
9,10,11-trimethylpentacyclo[6.3.1.01,7.02,6.04,10]dodecane
CID 123902270
2,4,4-trimethyl-7-azatricyclo[4.3.0.02,9]nonane
CID 138599466
13-methylheptacyclo[6.6.1.11,5.02,8.03,13.06,12.010,15]hexadecane
CID 91398763
2,4,5,7,10,11,15,17-octamethyltetracyclo[12.4.0.03,7.08,10]octadecane
CID 176792744
4,4,5,5,9,10-hexamethyltetracyclo[6.2.1.13,6.02,7]dodecane;methane
CID 160997300

Frequently Asked Questions

What is the IUPAC name of 9-methylpentacyclo[4.4.0.01,5.02,9.04,8]decane?
The IUPAC name of 9-methylpentacyclo[4.4.0.01,5.02,9.04,8]decane (CID 123294037) is 9-methylpentacyclo[4.4.0.01,5.02,9.04,8]decane.
What is the SMILES notation for 9-methylpentacyclo[4.4.0.01,5.02,9.04,8]decane?
The canonical SMILES for 9-methylpentacyclo[4.4.0.01,5.02,9.04,8]decane is CC12CC34C5CC1C(CC23)C54.
What is the InChIKey of 9-methylpentacyclo[4.4.0.01,5.02,9.04,8]decane?
The InChIKey is WDWXGAXNOZGGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14/c1-10-4-11-7-3-6(10)5(9(7)11)2-8(10)11/h5-9H,2-4H2,1H3.
What are the key properties of 9-methylpentacyclo[4.4.0.01,5.02,9.04,8]decane?
9-methylpentacyclo[4.4.0.01,5.02,9.04,8]decane has a molecular weight of 146.23 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylpentacyclo[4.4.0.01,5.02,9.04,8]decane is sourced from PubChem (CID 123294037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).