2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane

C13H18 — CID 147978015

IUPAC2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane
SMILESCC12C3CCC1C1C4CCC(C13)C42
InChIInChI=1S/C13H18/c1-13-8-4-5-9(13)11-7-3-2-6(10(8)11)12(7)13/h6-12H,2-5H2,1H3
InChIKeyISRBLGVTTNTURH-UHFFFAOYSA-N
MW174.29 g/mol
LogP2.93
Rot. Bonds

About 2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane

2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane (PubChem CID 147978015) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane.

Molecular Properties

Compound Name2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane
PubChem CID147978015
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane
SMILESCC12C3CCC1C1C4CCC(C13)C42
InChIInChI=1S/C13H18/c1-13-8-4-5-9(13)11-7-3-2-6(10(8)11)12(7)13/h6-12H,2-5H2,1H3
InChIKeyISRBLGVTTNTURH-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 163559824
(1'S,2'S,5'R,7'S)-spiro[cyclopropane-1,6'-tricyclo[3.2.0.02,7]heptane]
CID 134980559
(1aR,4aR,7S,7aS,7bS)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene
CID 171038638
(1S,2R,3R,4R,5S,7R,8R,9S,10R)-4-methoxy-2-methylpentacyclo[6.4.0.02,10.03,7.05,9]dodecan-6-one
CID 139054009
methyl-[(4R)-5-methyl-5-bicyclo[2.1.0]pentanyl]diazene
CID 155105350
1-methyltricyclo[2.1.0.02,5]pentane
CID 86129037
8-methyltetracyclo[4.2.0.01,7.02,5]octane
CID 123800376
3,5,14',14'-tetramethylspiro[cyclohexane-1,9'-hexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosane]
CID 168816364
methyl (1S,2R,3S,4S,5S,6R,9R,10R,11R,12R,13S,14S,15S,19R)-12-hydroxy-13-methyloctacyclo[9.8.0.02,14.03,10.04,13.05,9.06,12.015,19]nonadecane-11-carboxylate
CID 124911261
(1R,2R,5S)-4,4-dimethylbicyclo[3.2.0]heptan-2-ol
CID 130927421
2-ethyl-6,6-dimethylbicyclo[3.1.0]hexane
CID 123448381
methanidyl-[7-(methanidylazaniumyl)-1,4,7,8-tetramethyl-2,3,3a,4,5,5a,6,8,8a,9,10,10a,10b,10c-tetradecahydropyren-1-yl]azanium
CID 163155375

Frequently Asked Questions

What is the IUPAC name of 2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane?
The IUPAC name of 2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane (CID 147978015) is 2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane.
What is the SMILES notation for 2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane?
The canonical SMILES for 2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane is CC12C3CCC1C1C4CCC(C13)C42.
What is the InChIKey of 2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane?
The InChIKey is ISRBLGVTTNTURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-13-8-4-5-9(13)11-7-3-2-6(10(8)11)12(7)13/h6-12H,2-5H2,1H3.
What are the key properties of 2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane?
2-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane has a molecular weight of 174.29 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-methylpentacyclo[6.4.0.02,10.03,7.04,9]dodecane is sourced from PubChem (CID 147978015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).