(1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane

C15H28 — CID 135045002

IUPAC(1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane
SMILESCC1CC[C@@H]2CCC[C@@H](C)CCCC1C2
InChIInChI=1S/C15H28/c1-12-5-3-7-14-10-9-13(2)15(11-14)8-4-6-12/h12-15H,3-11H2,1-2H3/t12-,13?,14+,15?/m1/s1
InChIKeyZYBCFNISIAZZHF-JLVJUDLZSA-N
MW208.39 g/mol
LogP5.03
Rot. Bonds

About (1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane

(1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane (PubChem CID 135045002) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is (1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane.

Molecular Properties

Compound Name(1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane
PubChem CID135045002
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name(1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane
SMILESCC1CC[C@@H]2CCC[C@@H](C)CCCC1C2
InChIInChI=1S/C15H28/c1-12-5-3-7-14-10-9-13(2)15(11-14)8-4-6-12/h12-15H,3-11H2,1-2H3/t12-,13?,14+,15?/m1/s1
InChIKeyZYBCFNISIAZZHF-JLVJUDLZSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane with MolForge

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Related Compounds

methane;(2S)-2-methylbicyclo[3.3.1]nonane
CID 165048741
(5S)-2-methylbicyclo[3.2.1]octane
CID 154516111
2-methylbicyclo[2.2.1]heptane;methylcycloheptane;methylcyclohexane;methylcyclopentane
CID 159125813
(1S,4R,5R,8S)-5,13-dimethyltricyclo[6.5.1.14,10]pentadecane
CID 58625736
bis(2-methylbicyclo[2.2.1]heptane);7-methylbicyclo[2.2.1]heptane;6-methylbicyclo[3.2.2]nonane;bis(2-methylbicyclo[3.2.1]octane);bis(3-methylbicyclo[3.2.1]octane);1-methyltricyclo[4.3.1.13,8]undecane
CID 159187687
[9-(hydroxymethyl)-5,14,18,22,26,29,33,37,41,50,54,58,62,65,69-pentadecamethyl-8,11,44,47-tetraoxabicyclo[68.2.1]triheptacontan-45-yl]methanol
CID 102319027
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
(3R)-3-methylbicyclo[4.3.3]dodecane
CID 140778138
5-methylbicyclo[11.3.0]hexadecane
CID 58552761
(3R,11S)-tricyclo[5.5.1.03,11]tridecane
CID 54121059
1-cyclodecyl-5-methylcyclodecane
CID 123747337
12-methyltricyclo[8.4.1.12,5]hexadecane
CID 163863196

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane?
The IUPAC name of (1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane (CID 135045002) is (1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane.
What is the SMILES notation for (1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane?
The canonical SMILES for (1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane is CC1CC[C@@H]2CCC[C@@H](C)CCCC1C2.
What is the InChIKey of (1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane?
The InChIKey is ZYBCFNISIAZZHF-JLVJUDLZSA-N. The full InChI is InChI=1S/C15H28/c1-12-5-3-7-14-10-9-13(2)15(11-14)8-4-6-12/h12-15H,3-11H2,1-2H3/t12-,13?,14+,15?/m1/s1.
What are the key properties of (1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane?
(1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane has a molecular weight of 208.39 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-5,10-dimethylbicyclo[7.3.1]tridecane is sourced from PubChem (CID 135045002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).