3-methylpentan-3-ylcycloundecane

C17H34 — CID 123467319

IUPAC3-methylpentan-3-ylcycloundecane
SMILESCCC(C)(CC)C1CCCCCCCCCC1
InChIInChI=1S/C17H34/c1-4-17(3,5-2)16-14-12-10-8-6-7-9-11-13-15-16/h16H,4-15H2,1-3H3
InChIKeyFDGZFELUNPRBRX-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.34
Rot. Bonds3

About 3-methylpentan-3-ylcycloundecane

3-methylpentan-3-ylcycloundecane (PubChem CID 123467319) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 3-methylpentan-3-ylcycloundecane.

Molecular Properties

Compound Name3-methylpentan-3-ylcycloundecane
PubChem CID123467319
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name3-methylpentan-3-ylcycloundecane
SMILESCCC(C)(CC)C1CCCCCCCCCC1
InChIInChI=1S/C17H34/c1-4-17(3,5-2)16-14-12-10-8-6-7-9-11-13-15-16/h16H,4-15H2,1-3H3
InChIKeyFDGZFELUNPRBRX-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-tert-butyl-2-cycloheptyl-2-methylbutan-1-amine
CID 82933365
(2-cyclohexyl-2-methyl-3-phosphanylpropyl)phosphane
CID 58351246
3-cyclopentylpentan-3-ylcyclohexane
CID 91156849
1,1-di(cyclododecyl)propylcyclododecane
CID 91064013
2-cyclohexylbutan-2-ol
CID 14023764
2-cyclopentylbutan-2-amine
CID 43810238
3-cyclononylpentane-3-thiol
CID 88869699
5-cyclohexyl-5-methylnonanediamide
CID 70542890
tert-butylcyclopentadecane
CID 164774831
4-[4-(3-methylpentan-3-yl)cyclohexyl]cyclohexan-1-ol
CID 143129669
N-cycloheptyl-5-(2-methylbutan-2-yl)-N-[5-(2-methylbutan-2-yl)cyclooctyl]cyclononan-1-amine
CID 134369025
(1,3-dimethoxy-2-methylpropan-2-yl)cyclopentane
CID 89106500

Frequently Asked Questions

What is the IUPAC name of 3-methylpentan-3-ylcycloundecane?
The IUPAC name of 3-methylpentan-3-ylcycloundecane (CID 123467319) is 3-methylpentan-3-ylcycloundecane.
What is the SMILES notation for 3-methylpentan-3-ylcycloundecane?
The canonical SMILES for 3-methylpentan-3-ylcycloundecane is CCC(C)(CC)C1CCCCCCCCCC1.
What is the InChIKey of 3-methylpentan-3-ylcycloundecane?
The InChIKey is FDGZFELUNPRBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-4-17(3,5-2)16-14-12-10-8-6-7-9-11-13-15-16/h16H,4-15H2,1-3H3.
What are the key properties of 3-methylpentan-3-ylcycloundecane?
3-methylpentan-3-ylcycloundecane has a molecular weight of 238.46 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpentan-3-ylcycloundecane is sourced from PubChem (CID 123467319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).