1,3,6-trimethyl-9-propylcycloundecane

C17H34 — CID 123524783

IUPAC1,3,6-trimethyl-9-propylcycloundecane
SMILESCCCC1CCC(C)CCC(C)CC(C)CC1
InChIInChI=1S/C17H34/c1-5-6-17-11-9-14(2)7-8-15(3)13-16(4)10-12-17/h14-17H,5-13H2,1-4H3
InChIKeyUZJWWASJIALQNY-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.06
Rot. Bonds2

About 1,3,6-trimethyl-9-propylcycloundecane

1,3,6-trimethyl-9-propylcycloundecane (PubChem CID 123524783) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1,3,6-trimethyl-9-propylcycloundecane.

Molecular Properties

Compound Name1,3,6-trimethyl-9-propylcycloundecane
PubChem CID123524783
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1,3,6-trimethyl-9-propylcycloundecane
SMILESCCCC1CCC(C)CCC(C)CC(C)CC1
InChIInChI=1S/C17H34/c1-5-6-17-11-9-14(2)7-8-15(3)13-16(4)10-12-17/h14-17H,5-13H2,1-4H3
InChIKeyUZJWWASJIALQNY-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-methyl-4-propylcycloheptane
CID 90967653
2-methyl-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22886811
1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 143239770
1-ethyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 173420851
1,3-dimethyl-5-propylcyclohexane
CID 13144142
ethane;propane;propylcyclopropane
CID 145406182
1-methyl-5-propylcyclononane
CID 54361658
1,3-dimethyl-5-propylcyclohexane;ethane
CID 142054568
cis-(1R,3S)-1-methyl-3-propylcyclohexane
CID 154071124
1,4-dipropylcyclohexane;pentane
CID 90867354

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-9-propylcycloundecane?
The IUPAC name of 1,3,6-trimethyl-9-propylcycloundecane (CID 123524783) is 1,3,6-trimethyl-9-propylcycloundecane.
What is the SMILES notation for 1,3,6-trimethyl-9-propylcycloundecane?
The canonical SMILES for 1,3,6-trimethyl-9-propylcycloundecane is CCCC1CCC(C)CCC(C)CC(C)CC1.
What is the InChIKey of 1,3,6-trimethyl-9-propylcycloundecane?
The InChIKey is UZJWWASJIALQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-5-6-17-11-9-14(2)7-8-15(3)13-16(4)10-12-17/h14-17H,5-13H2,1-4H3.
What are the key properties of 1,3,6-trimethyl-9-propylcycloundecane?
1,3,6-trimethyl-9-propylcycloundecane has a molecular weight of 238.46 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-9-propylcycloundecane is sourced from PubChem (CID 123524783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).