1,1-dimethyl-2-nonylcyclopropane

C14H28 — CID 549972

IUPAC1,1-dimethyl-2-nonylcyclopropane
SMILESCCCCCCCCCC1CC1(C)C
InChIInChI=1S/C14H28/c1-4-5-6-7-8-9-10-11-13-12-14(13,2)3/h13H,4-12H2,1-3H3
InChIKeyPMTRHHGOQMLDQB-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.17
Rot. Bonds8

About 1,1-dimethyl-2-nonylcyclopropane

1,1-dimethyl-2-nonylcyclopropane (PubChem CID 549972) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1,1-dimethyl-2-nonylcyclopropane.

Molecular Properties

Compound Name1,1-dimethyl-2-nonylcyclopropane
PubChem CID549972
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1,1-dimethyl-2-nonylcyclopropane
SMILESCCCCCCCCCC1CC1(C)C
InChIInChI=1S/C14H28/c1-4-5-6-7-8-9-10-11-13-12-14(13,2)3/h13H,4-12H2,1-3H3
InChIKeyPMTRHHGOQMLDQB-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.17
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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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-nonylcyclopropane?
The IUPAC name of 1,1-dimethyl-2-nonylcyclopropane (CID 549972) is 1,1-dimethyl-2-nonylcyclopropane.
What is the SMILES notation for 1,1-dimethyl-2-nonylcyclopropane?
The canonical SMILES for 1,1-dimethyl-2-nonylcyclopropane is CCCCCCCCCC1CC1(C)C.
What is the InChIKey of 1,1-dimethyl-2-nonylcyclopropane?
The InChIKey is PMTRHHGOQMLDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-4-5-6-7-8-9-10-11-13-12-14(13,2)3/h13H,4-12H2,1-3H3.
What are the key properties of 1,1-dimethyl-2-nonylcyclopropane?
1,1-dimethyl-2-nonylcyclopropane has a molecular weight of 196.38 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-nonylcyclopropane is sourced from PubChem (CID 549972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).