1,1,2-trimethyl-3-undecan-2-ylcyclopropane

C17H34 — CID 123706560

IUPAC1,1,2-trimethyl-3-undecan-2-ylcyclopropane
SMILESCCCCCCCCCC(C)C1C(C)C1(C)C
InChIInChI=1S/C17H34/c1-6-7-8-9-10-11-12-13-14(2)16-15(3)17(16,4)5/h14-16H,6-13H2,1-5H3
InChIKeyIAHIRBKDOJSCRK-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.06
Rot. Bonds9

About 1,1,2-trimethyl-3-undecan-2-ylcyclopropane

1,1,2-trimethyl-3-undecan-2-ylcyclopropane (PubChem CID 123706560) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 1,1,2-trimethyl-3-undecan-2-ylcyclopropane.

Molecular Properties

Compound Name1,1,2-trimethyl-3-undecan-2-ylcyclopropane
PubChem CID123706560
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name1,1,2-trimethyl-3-undecan-2-ylcyclopropane
SMILESCCCCCCCCCC(C)C1C(C)C1(C)C
InChIInChI=1S/C17H34/c1-6-7-8-9-10-11-12-13-14(2)16-15(3)17(16,4)5/h14-16H,6-13H2,1-5H3
InChIKeyIAHIRBKDOJSCRK-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-2-heptan-2-yl-3-methylcyclopropane
CID 123947517
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
octan-2-ylcyclopropane
CID 18968125
2-iodooctadecane
CID 138596673
(9R)-9-methylicosane
CID 170848391
7,17-dimethylpentacosane
CID 56936202
6-methylheptacosane
CID 22223776
2-methylpentaoctacontane
CID 90745672
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
2-methyldecane
CID 23415
15-methylhexatriacontane
CID 86002594

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trimethyl-3-undecan-2-ylcyclopropane?
The IUPAC name of 1,1,2-trimethyl-3-undecan-2-ylcyclopropane (CID 123706560) is 1,1,2-trimethyl-3-undecan-2-ylcyclopropane.
What is the SMILES notation for 1,1,2-trimethyl-3-undecan-2-ylcyclopropane?
The canonical SMILES for 1,1,2-trimethyl-3-undecan-2-ylcyclopropane is CCCCCCCCCC(C)C1C(C)C1(C)C.
What is the InChIKey of 1,1,2-trimethyl-3-undecan-2-ylcyclopropane?
The InChIKey is IAHIRBKDOJSCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-6-7-8-9-10-11-12-13-14(2)16-15(3)17(16,4)5/h14-16H,6-13H2,1-5H3.
What are the key properties of 1,1,2-trimethyl-3-undecan-2-ylcyclopropane?
1,1,2-trimethyl-3-undecan-2-ylcyclopropane has a molecular weight of 238.46 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3-undecan-2-ylcyclopropane is sourced from PubChem (CID 123706560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).