1,3,4,6,9,10-hexamethylpentacyclo[5.4.0.02,11.03,10.05,8]undecane

C17H26 — CID 123739870

IUPAC1,3,4,6,9,10-hexamethylpentacyclo[5.4.0.02,11.03,10.05,8]undecane
SMILESCC1C2C3C1C1(C)C4C1C(C)(C3C)C4(C)C2C
InChIInChI=1S/C17H26/c1-7-10-8(2)16(5)13-14-15(13,4)12(7)11(10)9(3)17(14,16)6/h7-14H,1-6H3
InChIKeyRDZUFRJREWIETB-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.06
Rot. Bonds

About 1,3,4,6,9,10-hexamethylpentacyclo[5.4.0.02,11.03,10.05,8]undecane

1,3,4,6,9,10-hexamethylpentacyclo[5.4.0.02,11.03,10.05,8]undecane (PubChem CID 123739870) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1,3,4,6,9,10-hexamethylpentacyclo[5.4.0.02,11.03,10.05,8]undecane.

Molecular Properties

Compound Name1,3,4,6,9,10-hexamethylpentacyclo[5.4.0.02,11.03,10.05,8]undecane
PubChem CID123739870
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name1,3,4,6,9,10-hexamethylpentacyclo[5.4.0.02,11.03,10.05,8]undecane
SMILESCC1C2C3C1C1(C)C4C1C(C)(C3C)C4(C)C2C
InChIInChI=1S/C17H26/c1-7-10-8(2)16(5)13-14-15(13,4)12(7)11(10)9(3)17(14,16)6/h7-14H,1-6H3
InChIKeyRDZUFRJREWIETB-UHFFFAOYSA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-dimethyltricyclo[2.1.0.02,5]pentane
CID 123959749
1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CID 21348432
2-ethyl-2,3,5-trimethylbicyclo[2.1.0]pentane
CID 123929300
2,4,6,8,9,10-hexamethyladamantane
CID 58325503
4,5,6,9,10,11-hexamethylhexacyclo[6.4.0.01,10.02,5.02,7.03,12]dodecane
CID 174043765
4,7-dimethyl-3-propan-2-yltetracyclo[4.2.0.02,5.03,8]octane
CID 171461401
1,3-dimethyltricyclo[3.1.0.02,4]hexane
CID 123800109
1-methylcubane
CID 13245707
1,1,2,3,4,5-hexamethylcyclopentane
CID 158781984
(2R,5R)-1,2,3,4,5-pentamethyltricyclo[3.1.0.02,6]hexane
CID 163529293
(1S,2S,5R,6R)-4,4,6-trimethylbicyclo[3.1.0]hexan-2-ol
CID 54495644
2,2,3,4,5-pentamethylpyrrolidine
CID 55288380

Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,9,10-hexamethylpentacyclo[5.4.0.02,11.03,10.05,8]undecane?
The IUPAC name of 1,3,4,6,9,10-hexamethylpentacyclo[5.4.0.02,11.03,10.05,8]undecane (CID 123739870) is 1,3,4,6,9,10-hexamethylpentacyclo[5.4.0.02,11.03,10.05,8]undecane.
What is the SMILES notation for 1,3,4,6,9,10-hexamethylpentacyclo[5.4.0.02,11.03,10.05,8]undecane?
The canonical SMILES for 1,3,4,6,9,10-hexamethylpentacyclo[5.4.0.02,11.03,10.05,8]undecane is CC1C2C3C1C1(C)C4C1C(C)(C3C)C4(C)C2C.
What is the InChIKey of 1,3,4,6,9,10-hexamethylpentacyclo[5.4.0.02,11.03,10.05,8]undecane?
The InChIKey is RDZUFRJREWIETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-7-10-8(2)16(5)13-14-15(13,4)12(7)11(10)9(3)17(14,16)6/h7-14H,1-6H3.
What are the key properties of 1,3,4,6,9,10-hexamethylpentacyclo[5.4.0.02,11.03,10.05,8]undecane?
1,3,4,6,9,10-hexamethylpentacyclo[5.4.0.02,11.03,10.05,8]undecane has a molecular weight of 230.39 g/mol, XLogP of 4.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,9,10-hexamethylpentacyclo[5.4.0.02,11.03,10.05,8]undecane is sourced from PubChem (CID 123739870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).