2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane

C15H22 — CID 123468958

IUPAC2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane
SMILESCC1CC2CC3C(C)C4CC1C31C2CC41
InChIInChI=1S/C15H22/c1-7-3-9-4-12-8(2)10-5-11(7)15(12)13(9)6-14(10)15/h7-14H,3-6H2,1-2H3
InChIKeyDPQLFSIWBPDCKQ-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.57
Rot. Bonds

About 2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane

2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane (PubChem CID 123468958) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane.

Molecular Properties

Compound Name2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane
PubChem CID123468958
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane
SMILESCC1CC2CC3C(C)C4CC1C31C2CC41
InChIInChI=1S/C15H22/c1-7-3-9-4-12-8(2)10-5-11(7)15(12)13(9)6-14(10)15/h7-14H,3-6H2,1-2H3
InChIKeyDPQLFSIWBPDCKQ-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 131134241
(1S,2S,4R,5R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 102239210
(1S,4R)-4,6,6-trimethylbicyclo[3.1.1]heptan-2-ol
CID 175710534
2,2,3,5-tetramethylbicyclo[2.1.1]hexane
CID 123374497
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
[2-(hydroxymethyl)-3,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methanol
CID 139754075
(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane
CID 59217509
(1R,3S,4R,6S)-4-methylbicyclo[4.1.0]heptan-3-ol
CID 23268682
(3R)-2,3-dimethylbicyclo[3.2.0]heptane
CID 154561320
(2S,5S)-2,5-dimethylbicyclo[2.2.1]heptane
CID 59124874
3,5,9,10-tetramethyltricyclo[5.4.1.04,12]dodecane
CID 123629229
(2S,5R,7R)-2,5,7-trimethylbicyclo[2.2.2]octane
CID 162406126

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane?
The IUPAC name of 2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane (CID 123468958) is 2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane.
What is the SMILES notation for 2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane?
The canonical SMILES for 2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane is CC1CC2CC3C(C)C4CC1C31C2CC41.
What is the InChIKey of 2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane?
The InChIKey is DPQLFSIWBPDCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-7-3-9-4-12-8(2)10-5-11(7)15(12)13(9)6-14(10)15/h7-14H,3-6H2,1-2H3.
What are the key properties of 2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane?
2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane has a molecular weight of 202.34 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylpentacyclo[6.4.1.03,9.05,10.09,12]tridecane is sourced from PubChem (CID 123468958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).