(2R)-1-methylidene-2-undecylcyclopentane

C17H32 — CID 134980264

IUPAC(2R)-1-methylidene-2-undecylcyclopentane
SMILESC=C1CCC[C@H]1CCCCCCCCCCC
InChIInChI=1S/C17H32/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)2/h17H,2-15H2,1H3/t17-/m1/s1
InChIKeyDIQLBWXMBDIKIE-QGZVFWFLSA-N
MW236.44 g/mol
LogP6.26
Rot. Bonds10

About (2R)-1-methylidene-2-undecylcyclopentane

(2R)-1-methylidene-2-undecylcyclopentane (PubChem CID 134980264) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is (2R)-1-methylidene-2-undecylcyclopentane.

Molecular Properties

Compound Name(2R)-1-methylidene-2-undecylcyclopentane
PubChem CID134980264
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name(2R)-1-methylidene-2-undecylcyclopentane
SMILESC=C1CCC[C@H]1CCCCCCCCCCC
InChIInChI=1S/C17H32/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)2/h17H,2-15H2,1H3/t17-/m1/s1
InChIKeyDIQLBWXMBDIKIE-QGZVFWFLSA-N
XLogP6.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methylidene-2-undecylcyclopentane?
The IUPAC name of (2R)-1-methylidene-2-undecylcyclopentane (CID 134980264) is (2R)-1-methylidene-2-undecylcyclopentane.
What is the SMILES notation for (2R)-1-methylidene-2-undecylcyclopentane?
The canonical SMILES for (2R)-1-methylidene-2-undecylcyclopentane is C=C1CCC[C@H]1CCCCCCCCCCC.
What is the InChIKey of (2R)-1-methylidene-2-undecylcyclopentane?
The InChIKey is DIQLBWXMBDIKIE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H32/c1-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16(17)2/h17H,2-15H2,1H3/t17-/m1/s1.
What are the key properties of (2R)-1-methylidene-2-undecylcyclopentane?
(2R)-1-methylidene-2-undecylcyclopentane has a molecular weight of 236.44 g/mol, XLogP of 6.26, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylidene-2-undecylcyclopentane is sourced from PubChem (CID 134980264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).